#------------------------------------------------------------------------------ #$Date: 2020-03-03 02:36:27 +0200 (Tue, 03 Mar 2020) $ #$Revision: 248619 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/74/1557424.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1557424 loop_ _publ_author_name 'Jiang, Fan' 'Wang, Chang-Feng' 'Wu, Ya-Xing' 'Li, Hui-Hui' 'Shi, Chao' 'Ye, Heng-Yun' 'Zhang, Yi' _publ_section_title ; Nonlinear Optical and Photoluminescence Bistable Responses Accompanied by Tunable Dielectric Behaviors in Crown Inclusions ; _journal_name_full 'The Journal of Physical Chemistry C' _journal_paper_doi 10.1021/acs.jpcc.0c01122 _journal_year 2020 _chemical_formula_moiety 'C12 H24 O6, C7 H9 F N, Cl O4' _chemical_formula_sum 'C19 H33 Cl F N O10' _chemical_formula_weight 489.91 _space_group_crystal_system monoclinic _space_group_IT_number 4 _space_group_name_Hall 'P 2yb' _space_group_name_H-M_alt 'P 1 21 1' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2013 _cell_angle_alpha 90 _cell_angle_beta 116.601(12) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 10.4391(10) _cell_length_b 11.8365(8) _cell_length_c 10.5951(10) _cell_measurement_reflns_used 5626 _cell_measurement_temperature 158(2) _cell_measurement_theta_max 29.1010 _cell_measurement_theta_min 2.7360 _cell_volume 1170.6(2) _computing_structure_refinement 'SHELXL-2013 (Sheldrick, 2013)' _diffrn_ambient_temperature 158(2) _diffrn_measured_fraction_theta_full 0.975 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measurement_device_type 'XtaLAB Synergy R, DW system, HyPix' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0481 _diffrn_reflns_av_unetI/netI 0.0582 _diffrn_reflns_Laue_measured_fraction_full 0.975 _diffrn_reflns_Laue_measured_fraction_max 0.999 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_l_max 12 _diffrn_reflns_limit_l_min -12 _diffrn_reflns_number 8564 _diffrn_reflns_point_group_measured_fraction_full 0.909 _diffrn_reflns_point_group_measured_fraction_max 0.932 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 24.992 _diffrn_reflns_theta_min 2.754 _exptl_absorpt_coefficient_mu 0.224 _exptl_crystal_density_diffrn 1.390 _exptl_crystal_description block _exptl_crystal_F_000 520 _refine_diff_density_max 0.655 _refine_diff_density_min -0.636 _refine_diff_density_rms 0.098 _refine_ls_abs_structure_details ; Flack x determined using 1370 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons and Flack (2004), Acta Cryst. A60, s61). ; _refine_ls_abs_structure_Flack 0.11(7) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.081 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 290 _refine_ls_number_reflns 3851 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 1.081 _refine_ls_R_factor_all 0.0736 _refine_ls_R_factor_gt 0.0681 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details ; w=1/[\s^2^(Fo^2^)+(0.1222P)^2^+1.5112P] where P=(Fo^2^+2Fc^2^)/3 ; _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.2060 _refine_ls_wR_factor_ref 0.2098 _reflns_Friedel_coverage 0.771 _reflns_Friedel_fraction_full 0.835 _reflns_Friedel_fraction_max 0.857 _reflns_number_gt 3486 _reflns_number_total 3851 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file jp0c01122_si_003.cif _cod_data_source_block 418 _cod_original_sg_symbol_H-M 'P 21' _cod_database_code 1557424 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelxl_version_number 2013-2 _shelx_res_file ; TITL 418 in P2(1) CELL 0.71073 10.4391 11.8365 10.5951 90.000 116.601 90.000 ZERR 13.00 0.0010 0.0008 0.0010 0.000 0.012 0.000 LATT -1 SYMM -X, 0.5+Y, -Z SFAC C H N O F Cl UNIT 13 13 13 13 13 13 OMIT -2.00 50.00 L.S. 20 ACTA BOND FMAP 2 PLAN 1 OMIT -2 50 HTAB CONF HTAB N1 O9 HTAB N1 O5 HTAB N1 O6 HTAB N1 O7 HTAB N1 O10 HTAB N1 O8 HTAB C10 O4 EQIV $1 -x+1, y-1/2, -z+1 HTAB C13 O2_$1 EQIV $2 -x+1, y-1/2, -z HTAB C16 O4_$2 WGHT 0.122200 1.511200 FVAR 0.61530 MOLE 1 C1 1 0.488555 0.287971 0.033229 11.00000 0.04885 0.02412 = 0.03543 0.00338 0.01410 -0.00469 AFIX 23 H1D 2 0.441857 0.325342 -0.057703 11.00000 -1.20000 H1E 2 0.582178 0.322091 0.085746 11.00000 -1.20000 AFIX 0 C2 1 0.401719 0.304859 0.111738 11.00000 0.03279 0.01736 = 0.02776 -0.00055 0.00885 -0.00225 C3 1 0.253500 0.313691 0.040562 11.00000 0.03206 0.02630 = 0.02918 -0.00004 -0.00109 0.00705 AFIX 43 H3 2 0.208138 0.311602 -0.057567 11.00000 -1.20000 AFIX 0 C4 1 0.172497 0.325481 0.112597 11.00000 0.03281 0.02942 = 0.05136 -0.00704 0.00710 0.00920 AFIX 43 H4 2 0.073016 0.327387 0.064317 11.00000 -1.20000 AFIX 0 C5 1 0.241293 0.334369 0.256989 11.00000 0.03954 0.03177 = 0.05147 -0.01148 0.02443 -0.00434 C6 1 0.389366 0.324942 0.332606 11.00000 0.05238 0.03221 = 0.02954 -0.00524 0.01414 0.00279 AFIX 43 H6 2 0.433899 0.327247 0.430732 11.00000 -1.20000 AFIX 0 C7 1 0.467778 0.312225 0.259363 11.00000 0.02394 0.02651 = 0.02831 -0.00149 -0.00070 0.00084 AFIX 43 H7 2 0.567112 0.308370 0.308469 11.00000 -1.20000 AFIX 0 C8 1 0.784851 0.144073 -0.114293 11.00000 0.03636 0.04139 = 0.03594 -0.00348 0.02092 -0.00386 AFIX 23 H8A 2 0.794063 0.224540 -0.125548 11.00000 -1.20000 H8B 2 0.825152 0.104224 -0.168202 11.00000 -1.20000 AFIX 0 C9 1 0.865833 0.112516 0.040161 11.00000 0.03955 0.03995 = 0.04017 -0.00247 0.01969 0.00461 AFIX 23 H9A 2 0.848095 0.034096 0.053838 11.00000 -1.20000 H9B 2 0.967970 0.122572 0.072614 11.00000 -1.20000 AFIX 0 C10 1 0.889844 0.164244 0.265569 11.00000 0.03116 0.05734 = 0.02828 -0.00878 0.00150 -0.00596 AFIX 23 H10A 2 0.876463 0.229013 0.314503 11.00000 -1.20000 H10B 2 0.991578 0.157411 0.293403 11.00000 -1.20000 AFIX 0 C11 1 0.840048 0.059374 0.312075 11.00000 0.02774 0.05451 = 0.02516 0.00779 -0.00044 0.01373 AFIX 23 H11A 2 0.853753 -0.006550 0.265095 11.00000 -1.20000 H11B 2 0.895156 0.049131 0.413159 11.00000 -1.20000 AFIX 0 C12 1 0.642763 -0.012844 0.339910 11.00000 0.05296 0.02975 = 0.02836 0.00816 0.01034 -0.00042 AFIX 23 H12A 2 0.695793 -0.007930 0.441849 11.00000 -1.20000 H12B 2 0.659442 -0.086891 0.310899 11.00000 -1.20000 AFIX 0 C13 1 0.486460 0.002730 0.295971 11.00000 0.05831 0.02911 = 0.02946 0.00413 0.01910 -0.00385 AFIX 23 H13A 2 0.455532 -0.049963 0.346932 11.00000 -1.20000 H13B 2 0.469128 0.078773 0.318844 11.00000 -1.20000 AFIX 0 C14 1 0.259610 0.004093 0.100091 11.00000 0.04524 0.03143 = 0.05488 0.00669 0.03308 0.00162 AFIX 23 H14A 2 0.245056 0.080985 0.122622 11.00000 -1.20000 H14B 2 0.222182 -0.046846 0.147265 11.00000 -1.20000 AFIX 0 C15 1 0.181899 -0.013838 -0.056272 11.00000 0.03421 0.02840 = 0.04979 -0.00418 0.01756 -0.00566 AFIX 23 H15A 2 0.202500 -0.088721 -0.079647 11.00000 -1.20000 H15B 2 0.079395 -0.007952 -0.087944 11.00000 -1.20000 AFIX 0 C16 1 0.164912 0.055694 -0.272816 11.00000 0.03205 0.06130 = 0.03432 -0.01357 0.00169 -0.01047 AFIX 23 H16A 2 0.062282 0.045224 -0.309733 11.00000 -1.20000 H16B 2 0.204502 -0.010754 -0.296026 11.00000 -1.20000 AFIX 0 C17 1 0.194912 0.158218 -0.338119 11.00000 0.02695 0.06390 = 0.03035 -0.00644 -0.00083 -0.00469 AFIX 23 H17A 2 0.148297 0.149377 -0.439911 11.00000 -1.20000 H17B 2 0.153022 0.223584 -0.315527 11.00000 -1.20000 AFIX 0 C18 1 0.406054 0.107457 -0.359691 11.00000 0.04381 0.04529 = 0.02627 -0.00824 0.00776 0.00336 AFIX 23 H18A 2 0.353911 0.115537 -0.461372 11.00000 -1.20000 H18B 2 0.399978 0.029194 -0.335754 11.00000 -1.20000 AFIX 0 C19 1 0.561458 0.140580 -0.310000 11.00000 0.05887 0.06184 = 0.02500 0.00034 0.02003 0.00124 AFIX 23 H19A 2 0.601757 0.099203 -0.362822 11.00000 -1.20000 H19B 2 0.568313 0.220720 -0.325133 11.00000 -1.20000 AFIX 0 CL1 6 0.854492 0.323919 0.613552 11.00000 0.02724 0.05476 = 0.02225 0.00449 0.00785 0.00306 F1 5 0.163029 0.347269 0.328252 11.00000 0.07391 0.06210 = 0.07967 -0.02166 0.05172 -0.00471 N1 3 0.505871 0.166424 0.011693 11.00000 0.02359 0.03204 = 0.02022 -0.00160 0.00593 -0.00291 AFIX 137 H1A 2 0.552558 0.132691 0.095094 11.00000 -1.50000 H1B 2 0.555468 0.158726 -0.037652 11.00000 -1.50000 H1C 2 0.419998 0.134780 -0.035312 11.00000 -1.50000 AFIX 0 O1 4 0.839463 0.201344 0.594528 11.00000 0.10117 0.04206 = 0.08004 -0.01291 0.04983 -0.01013 O2 4 0.717690 0.364339 0.583776 11.00000 0.03516 0.10622 = 0.04735 0.00123 0.00764 0.02185 O3 4 0.953452 0.343642 0.756222 11.00000 0.03707 0.09321 = 0.02038 -0.00008 0.00015 -0.00861 O4 4 0.905842 0.363547 0.519461 11.00000 0.06329 0.08143 = 0.03846 -0.00407 0.03052 -0.01808 O5 4 0.816414 0.184532 0.116691 11.00000 0.02829 0.03442 = 0.03162 -0.00347 0.00875 0.00108 O6 4 0.690822 0.072403 0.276207 11.00000 0.03145 0.03379 = 0.02671 0.00611 0.00564 0.00319 O7 4 0.406328 -0.016050 0.147288 11.00000 0.03303 0.03182 = 0.03506 0.00085 0.01451 0.00278 O8 4 0.227114 0.069526 -0.125065 11.00000 0.03003 0.03281 = 0.02877 -0.00586 0.00482 -0.00908 O9 4 0.344924 0.179287 -0.292390 11.00000 0.03027 0.03611 = 0.02791 0.00024 0.00266 0.00265 O10 4 0.637001 0.115239 -0.166000 11.00000 0.03127 0.03340 = 0.02646 0.00280 0.01153 0.00139 HKLF 4 REM 418 in P2(1) REM R1 = 0.0681 for 3486 Fo > 4sig(Fo) and 0.0736 for all 3851 data REM 290 parameters refined using 1 restraints END WGHT 0.1211 0.9184 REM Instructions for potential hydrogen bonds HTAB C10 O4 HTAB C13 O2_$1 HTAB C16 O4_$2 HTAB N1 O6 HTAB N1 O7 HTAB N1 O5 HTAB N1 O10 HTAB N1 O8 REM Highest difference peak 0.655, deepest hole -0.636, 1-sigma level 0.098 Q1 1 0.8543 0.4843 0.6454 11.00000 0.05 0.65 ; _shelx_res_checksum 84496 _shelx_hkl_file ; 0 -12 -5 8.32 1.53 0 -12 -6 2.57 2.52 0 -12 -7 1.40 2.59 0 -11 -4 9.80 1.42 0 -11 -5 18.44 4.67 0 -11 -5 19.76 2.44 0 -11 -6 0.38 1.11 0 -11 -6 -0.62 2.02 0 -11 -7 9.07 2.19 0 -11 -7 12.82 4.26 0 -11 -8 2.17 2.96 0 -10 -3 1.46 0.53 0 -10 -3 1.87 0.63 0 -10 -4 58.68 7.11 0 -10 -4 57.76 3.91 0 -10 -5 42.84 3.85 0 -10 -5 42.34 6.57 0 -10 -6 8.74 2.00 0 -10 -6 14.22 4.46 0 -10 -7 20.06 3.26 0 -10 -7 22.69 3.51 0 -10 -7 22.72 5.36 0 -10 -8 2.91 1.74 0 -10 -8 0.60 1.33 0 -10 -9 9.72 2.83 0 -10 -10 0.43 1.75 0 -9 -3 8.71 1.29 0 -9 -3 8.65 2.85 0 -9 -4 59.51 4.30 0 -9 -4 67.28 7.53 0 -9 -5 8.14 3.44 0 -9 -5 0.97 1.46 0 -9 -5 10.82 2.20 0 -9 -6 85.69 6.34 0 -9 -6 93.71 6.71 0 -9 -7 6.49 2.12 0 -9 -7 5.72 2.04 0 -9 -8 20.31 3.64 0 -9 -8 23.16 3.87 0 -9 -9 13.55 3.38 0 -9 -10 18.13 4.13 0 -9 -11 2.50 2.23 0 -8 -2 70.43 3.26 0 -8 -3 60.60 6.61 0 -8 -3 74.53 4.37 0 -8 -4 67.80 4.68 0 -8 -4 63.35 4.64 0 -8 5 11.08 1.99 0 -8 -5 9.53 2.08 0 -8 -6 78.09 6.18 0 -8 6 75.34 5.75 0 -8 7 38.80 4.31 0 -8 -7 36.38 4.54 0 -8 -8 63.76 6.53 0 -8 8 61.68 5.91 0 -8 -9 10.46 3.23 0 -8 -9 5.60 3.18 0 -8 -10 17.68 4.04 0 -8 -11 2.02 2.42 0 -7 -2 285.79 10.87 0 -7 -2 268.92 14.94 0 -7 3 92.60 4.96 0 -7 -3 82.10 7.41 0 -7 -3 84.78 4.93 0 -7 -4 64.63 4.64 0 -7 4 65.03 4.55 0 -7 -5 12.70 2.27 0 -7 5 13.64 2.24 0 -7 6 41.13 4.18 0 -7 -6 30.57 3.82 0 -7 -7 22.49 3.68 0 -7 7 23.25 3.39 0 -7 -8 26.18 4.29 0 -7 8 23.40 3.72 0 -7 -8 21.92 5.11 0 -7 -9 31.54 6.07 0 -7 -9 34.00 5.14 0 -7 -10 12.61 4.07 0 -7 -10 12.86 3.66 0 -7 -11 10.72 3.64 0 -6 -2 47.15 2.89 0 -6 2 45.90 2.79 0 -6 3 267.83 11.24 0 -6 -3 266.16 11.37 0 -6 4 101.75 5.97 0 -6 -4 95.92 6.01 0 -6 -5 49.51 4.56 0 -6 5 55.36 4.54 0 -6 -6 47.30 6.13 0 -6 6 42.51 4.31 0 -6 -6 42.24 4.53 0 -6 -7 14.03 3.65 0 -6 -7 9.45 2.58 0 -6 7 11.09 2.53 0 -6 -8 42.74 6.33 0 -6 -8 44.89 5.40 0 -6 8 43.99 4.99 0 -6 9 5.69 2.27 0 -6 -9 5.51 2.81 0 -6 -9 5.67 2.51 0 -6 -10 18.25 4.14 0 -6 -10 17.17 4.66 0 -6 -11 2.55 2.44 0 -5 -1 24.68 1.41 0 -5 2 377.43 13.97 0 -5 -2 368.93 14.00 0 -5 3 38.78 3.01 0 -5 -3 38.95 3.13 0 -5 4 206.58 9.78 0 -5 -4 198.99 9.93 0 -5 5 454.76 19.19 0 -5 -5 466.93 22.34 0 -5 -5 456.72 19.56 0 -5 -6 28.43 3.73 0 -5 -6 29.15 4.64 0 -5 6 27.37 3.42 0 -5 -7 34.15 4.40 0 -5 -7 33.79 5.27 0 -5 7 41.77 4.48 0 -5 -8 3.52 1.85 0 -5 8 4.83 1.87 0 -5 -8 7.05 2.73 0 -5 -9 8.41 2.82 0 -5 9 13.49 3.05 0 -5 -9 10.22 3.42 0 -5 -10 19.54 4.54 0 -5 -10 28.07 4.87 0 -5 -11 7.97 3.40 0 -5 -11 8.04 3.24 0 -4 -1 204.41 7.80 0 -4 1 220.62 7.82 0 -4 2 120.13 5.56 0 -4 -2 123.88 5.69 0 -4 -3 94.64 5.36 0 -4 3 90.21 5.20 0 -4 -4 20.44 2.66 0 -4 4 16.02 2.20 0 -4 -4 21.57 3.43 0 -4 -5 3.42 1.38 0 -4 5 5.26 1.47 0 -4 -6 81.64 6.46 0 -4 6 84.58 6.27 0 -4 7 14.39 2.73 0 -4 -7 12.44 2.98 0 -4 -8 59.92 6.26 0 -4 8 64.56 6.13 0 -4 -9 46.19 5.74 0 -4 9 41.22 5.16 0 -4 -10 0.90 1.75 0 -4 -11 1.00 2.05 0 -3 1 2356.80 77.33 0 -3 -1 2304.08 77.40 0 -3 -2 314.15 12.18 0 -3 2 313.55 12.28 0 -3 2 316.17 12.08 0 -3 3 191.22 8.58 0 -3 -3 185.86 8.64 0 -3 3 182.67 7.99 0 -3 -4 712.15 27.33 0 -3 4 704.22 25.44 0 -3 4 724.00 27.00 0 -3 5 430.29 17.96 0 -3 -5 402.66 18.00 0 -3 5 412.34 15.69 0 -3 -6 288.48 14.55 0 -3 6 290.42 14.20 0 -3 -7 230.35 13.24 0 -3 7 247.10 13.03 0 -3 8 21.48 3.55 0 -3 -8 14.64 3.13 0 -3 9 51.81 5.79 0 -3 -9 50.78 6.17 0 -3 -10 39.64 5.78 0 -3 -11 18.88 4.30 0 -2 2 449.46 16.14 0 -2 3 176.41 7.06 0 -2 3 164.49 7.99 0 -2 4 8.64 1.63 0 -2 4 9.05 1.05 0 -2 5 326.63 14.89 0 -2 -5 319.40 15.00 0 -2 5 333.34 12.33 0 -2 6 215.69 11.47 0 -2 6 208.97 8.35 0 -2 -6 217.29 11.78 0 -2 -7 206.98 12.17 0 -2 7 201.26 11.53 0 -2 8 85.79 7.08 0 -2 -8 77.52 7.18 0 -2 -9 9.49 2.91 0 -2 9 8.84 2.64 0 -2 -10 12.45 3.50 0 -2 -11 4.46 2.45 0 -1 2 1953.98 64.83 0 -1 3 153.75 5.85 0 -1 4 907.82 30.71 0 -1 5 221.62 8.24 0 -1 6 33.90 1.87 0 0 -2 1011.34 35.47 0 0 2 1034.09 35.46 0 0 -3 2340.90 81.11 0 0 -3 2421.55 79.75 0 0 3 2369.73 81.17 0 0 -4 488.41 19.63 0 0 4 485.11 19.44 0 0 -4 486.00 17.85 0 0 -5 728.38 27.42 0 0 5 793.24 29.47 0 0 -5 783.92 29.70 0 0 -6 15.48 3.01 0 0 6 2.12 1.30 0 0 -7 206.55 10.25 0 0 -7 217.78 12.48 0 0 7 223.25 12.14 0 0 -8 131.92 9.69 0 0 8 136.48 9.34 0 0 -9 32.15 4.94 0 0 9 25.49 4.07 0 0 -10 3.57 2.34 0 0 -11 4.48 2.47 0 1 -1 111.95 4.62 0 1 -1 120.85 4.42 0 1 1 106.13 4.55 0 1 2 1964.73 64.54 0 1 2 1939.42 65.95 0 1 -2 1923.60 65.91 0 1 3 153.73 8.05 0 1 -3 153.80 8.14 0 1 4 930.68 32.28 0 1 -4 922.78 32.42 0 1 -5 203.77 9.69 0 1 5 211.05 10.85 0 1 -6 38.50 4.27 0 1 -6 35.07 3.23 0 1 6 35.97 4.02 0 1 -7 60.91 4.76 0 1 -7 53.18 5.51 0 1 7 55.54 5.37 0 1 8 18.60 3.31 0 1 -8 18.76 2.89 0 1 -9 7.97 2.62 0 1 -9 8.38 2.29 0 1 9 12.90 2.98 0 1 -10 40.86 5.76 0 1 -11 9.03 3.29 0 2 0 486.83 17.94 0 2 0 535.05 18.38 0 2 -1 901.40 31.21 0 2 1 903.75 30.82 0 2 1 910.74 32.17 0 2 -1 929.69 30.89 0 2 -2 429.57 16.50 0 2 2 439.90 16.48 0 2 -2 469.39 16.12 0 2 3 171.70 8.12 0 2 -3 178.22 8.33 0 2 -4 8.30 1.61 0 2 4 9.92 1.71 0 2 -5 327.74 15.08 0 2 5 327.92 14.75 0 2 -6 206.37 11.63 0 2 -6 218.64 10.52 0 2 6 213.80 11.47 0 2 -7 166.42 9.34 0 2 7 188.86 10.85 0 2 -7 195.33 11.46 0 2 -8 65.25 5.46 0 2 8 74.37 3.32 0 2 8 71.29 6.55 0 2 -9 8.43 2.83 0 2 -9 12.33 2.71 0 2 9 10.19 2.87 0 2 -10 5.96 2.45 0 2 -10 11.31 3.45 0 2 -11 10.13 3.39 0 3 0 0.09 0.46 0 3 0 -0.33 0.57 0 3 -1 2306.35 76.78 0 3 1 2336.05 76.70 0 3 1 2264.94 79.12 0 3 -1 2299.73 77.84 0 3 -2 287.54 11.41 0 3 2 289.82 11.32 0 3 -2 302.15 11.53 0 3 3 184.17 8.63 0 3 -3 204.29 8.28 0 3 -3 186.23 8.79 0 3 -4 771.72 28.64 0 3 4 734.89 28.25 0 3 -5 411.73 17.80 0 3 5 393.54 14.46 0 3 5 422.58 17.45 0 3 6 290.94 14.23 0 3 -6 295.34 14.72 0 3 7 249.22 9.76 0 3 -7 230.94 13.16 0 3 -7 209.49 11.48 0 3 7 228.78 12.61 0 3 -8 13.92 2.76 0 3 8 20.17 1.74 0 3 8 18.97 3.30 0 3 -8 21.21 3.76 0 3 9 50.30 2.53 0 3 9 50.07 5.70 0 3 -9 44.10 5.84 0 3 -9 46.39 4.83 0 3 -10 36.96 4.49 0 3 -10 41.59 6.00 0 3 -11 11.09 2.87 0 3 -11 20.51 4.55 0 4 0 3602.43 120.91 0 4 0 3605.19 121.62 0 4 1 234.03 8.21 0 4 1 232.43 10.93 0 4 -1 218.64 9.70 0 4 -1 213.10 8.20 0 4 -2 120.45 6.04 0 4 2 114.81 5.38 0 4 -2 116.17 5.49 0 4 3 90.55 5.12 0 4 -3 97.75 5.37 0 4 -3 90.52 5.13 0 4 -4 20.06 2.14 0 4 -4 15.81 2.25 0 4 4 15.81 2.22 0 4 -5 5.11 1.59 0 4 5 5.92 1.56 0 4 6 62.69 3.35 0 4 6 81.41 5.94 0 4 -6 80.01 6.25 0 4 7 9.94 1.54 0 4 -7 10.11 2.70 0 4 7 9.75 2.29 0 4 8 66.33 4.02 0 4 -8 68.44 6.73 0 4 8 71.12 6.36 0 4 -8 52.21 5.37 0 4 -9 35.53 4.44 0 4 9 48.14 2.96 0 4 -9 35.50 5.34 0 4 9 52.32 5.70 0 4 -10 1.18 1.63 0 4 -10 0.92 1.62 0 4 -11 0.52 1.92 0 4 -11 1.52 1.77 0 4 -12 1.47 2.20 0 5 0 0.15 0.64 0 5 0 8.52 2.31 0 5 -1 25.78 1.53 0 5 1 28.86 3.31 0 5 -1 23.83 2.58 0 5 -2 363.91 15.26 0 5 2 354.22 15.53 0 5 2 391.77 17.18 0 5 2 393.10 14.10 0 5 -2 368.35 14.12 0 5 -3 37.98 3.22 0 5 3 33.98 2.78 0 5 -3 37.33 3.04 0 5 -4 205.58 9.54 0 5 4 198.94 9.60 0 5 -4 201.66 9.95 0 5 5 447.51 18.71 0 5 -5 456.57 19.26 0 5 5 437.97 17.93 0 5 6 29.73 2.04 0 5 6 28.85 2.89 0 5 -6 29.99 3.71 0 5 6 30.06 3.55 0 5 7 37.10 3.26 0 5 7 39.15 4.36 0 5 -7 30.76 4.27 0 5 8 6.00 2.07 0 5 -8 4.60 2.04 0 5 8 3.74 1.12 0 5 -8 5.37 2.03 0 5 -9 11.49 2.92 0 5 9 11.46 2.82 0 5 -9 10.69 3.07 0 5 9 10.67 1.67 0 5 -10 26.74 4.93 0 5 -10 21.72 3.74 0 5 10 21.32 1.96 0 5 -11 10.76 2.93 0 5 -11 13.12 3.85 0 5 -12 20.41 3.79 0 6 0 3649.65 123.99 0 6 0 3594.13 122.84 0 6 1 459.77 20.22 0 6 -1 462.45 18.98 0 6 2 49.78 5.18 0 6 -2 44.06 2.89 0 6 2 46.51 4.09 0 6 -2 51.07 4.10 0 6 2 45.55 2.79 0 6 3 260.55 12.41 0 6 -3 278.35 12.43 0 6 -3 257.12 11.30 0 6 3 277.68 11.34 0 6 4 93.83 6.12 0 6 4 87.13 5.51 0 6 -4 96.83 6.00 0 6 -4 92.03 5.83 0 6 -5 42.26 4.19 0 6 5 46.93 4.07 0 6 5 45.89 4.06 0 6 -6 42.67 4.51 0 6 6 46.25 4.47 0 6 6 44.68 3.97 0 6 7 12.74 2.05 0 6 7 7.91 0.99 0 6 -7 8.58 2.44 0 6 7 12.52 2.51 0 6 8 46.13 5.14 0 6 -8 45.11 5.58 0 6 8 43.66 3.74 0 6 -8 39.54 4.98 0 6 9 3.98 1.19 0 6 -9 4.68 2.30 0 6 9 5.37 2.24 0 6 -9 6.22 2.51 0 6 -10 17.05 3.53 0 6 -10 18.88 4.33 0 6 10 18.75 2.17 0 6 -11 1.60 2.46 0 6 -11 2.86 2.21 0 6 -12 -1.47 2.08 0 7 0 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2.17 0 8 5 12.90 2.11 0 8 -5 13.93 2.59 0 8 6 73.31 5.61 0 8 6 72.51 5.86 0 8 -6 69.40 5.87 0 8 7 36.96 4.15 0 8 -7 35.23 4.41 0 8 7 33.31 3.88 0 8 8 56.84 4.99 0 8 -8 57.25 6.17 0 8 8 59.82 5.70 0 8 -9 9.87 3.22 0 8 -9 11.42 3.25 0 8 9 11.27 2.25 0 8 -10 22.16 4.71 0 8 -10 17.92 4.07 0 8 10 17.45 2.53 0 8 -11 1.04 1.81 0 9 0 0.33 1.47 0 9 0 0.27 1.42 0 9 -1 84.91 7.26 0 9 -1 78.65 6.47 0 9 1 78.07 7.18 0 9 2 83.13 7.57 0 9 2 78.92 6.57 0 9 -2 84.46 6.61 0 9 3 9.60 2.44 0 9 -3 9.39 1.43 0 9 -3 11.14 2.52 0 9 -4 63.10 5.70 0 9 4 67.60 5.98 0 9 -4 62.88 4.59 0 9 -5 4.75 2.38 0 9 5 2.45 1.72 0 9 -5 2.03 1.40 0 9 -6 90.78 6.86 0 9 -6 102.13 7.12 0 9 6 97.11 7.29 0 9 -7 4.93 2.07 0 9 -7 6.83 2.37 0 9 7 7.25 2.08 0 9 -8 14.61 3.23 0 9 -8 19.92 3.58 0 9 8 18.00 3.08 0 9 9 15.51 2.70 0 9 -9 8.97 3.19 0 9 -9 11.64 3.02 0 9 10 13.34 2.45 0 9 -10 11.48 3.43 0 9 -10 11.99 3.36 0 10 0 45.41 5.09 0 10 0 42.80 5.36 0 10 1 55.67 6.33 0 10 -1 46.41 5.21 0 10 -1 60.11 6.40 0 10 -2 20.05 3.66 0 10 2 17.36 3.74 0 10 2 20.19 3.45 0 10 -2 22.89 3.61 0 10 -3 2.61 0.72 0 10 3 1.51 1.58 0 10 -3 3.30 1.66 0 10 -4 57.23 5.55 0 10 4 64.89 6.04 0 10 -4 50.96 3.89 0 10 -5 33.82 3.66 0 10 -5 40.59 4.84 0 10 -6 10.27 2.39 0 10 6 10.57 2.64 0 10 -6 12.87 2.51 0 10 7 25.14 3.81 0 10 -7 26.65 3.84 0 10 -7 25.12 3.61 0 10 -8 1.97 1.52 0 10 8 1.64 1.44 0 10 9 7.20 2.10 0 10 -9 8.99 2.71 0 10 -9 6.35 3.08 0 10 -10 -0.43 1.58 0 11 0 0.33 1.31 0 11 0 -0.39 1.45 0 11 1 22.55 4.34 0 11 -1 22.08 4.16 0 11 -1 18.20 3.47 0 11 -2 31.05 4.84 0 11 -2 32.23 4.51 0 11 2 30.04 4.30 0 11 2 32.71 5.16 0 11 -3 35.53 4.69 0 11 3 29.52 4.36 0 11 -4 9.38 2.57 0 11 4 6.20 2.19 0 11 -4 8.00 1.38 0 11 5 28.85 4.24 0 11 -5 21.64 2.74 0 11 -5 29.01 4.23 0 11 6 2.88 1.72 0 11 7 10.92 2.67 0 11 8 2.41 1.62 0 11 9 0.85 1.45 0 12 0 166.26 12.23 0 12 0 172.50 11.60 0 12 -1 1.86 1.72 0 12 1 0.45 1.85 0 12 -1 4.99 2.52 0 12 2 28.99 5.03 0 12 -2 23.86 4.40 0 12 2 19.38 3.84 0 12 -2 25.48 4.36 0 12 -3 25.31 4.38 0 12 3 25.26 4.25 0 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23.49 2 5 -2 578.81 22.09 -2 5 1 101.84 5.21 2 5 -1 104.71 6.04 2 5 -1 95.46 4.86 -2 5 0 266.33 10.95 2 5 0 265.93 10.64 2 5 1 30.81 2.91 -2 5 -1 19.95 2.18 2 5 2 15.28 2.06 -2 5 -2 18.56 2.22 -2 5 -2 17.80 2.17 2 5 3 123.49 6.78 -2 5 -3 118.73 7.36 -2 5 -3 134.04 7.08 -2 5 -3 131.71 7.56 -2 5 -4 12.47 2.44 -2 5 -4 11.72 1.75 2 5 4 14.63 1.93 -2 5 -4 16.79 2.71 2 5 5 118.30 6.15 -2 5 -5 92.65 7.08 -2 5 -5 104.62 7.75 -2 5 -5 109.21 5.86 -2 5 -5 124.48 8.33 -2 5 -6 60.57 6.21 -2 5 -6 70.22 6.02 2 5 6 59.79 4.02 -2 5 -6 72.73 6.61 2 5 6 62.21 4.06 -2 5 -7 30.64 4.85 2 5 7 43.61 3.25 -2 5 -7 41.93 4.72 2 5 8 58.06 4.17 -2 5 -8 58.09 6.03 -2 5 -9 18.85 4.30 -2 5 -9 16.77 3.42 -2 5 -10 6.35 2.52 -2 5 -10 3.73 2.79 2 6 -13 6.43 2.58 2 6 -12 5.75 2.52 2 6 -11 24.78 4.32 2 6 -11 33.62 5.59 -2 6 11 32.24 3.46 2 6 -10 1.28 1.74 -2 6 9 3.09 1.67 2 6 -9 6.01 2.46 -2 6 8 12.55 2.70 2 6 -8 10.20 2.72 2 6 -7 26.58 3.81 -2 6 7 28.46 3.62 -2 6 6 91.28 6.42 -2 6 5 66.62 3.03 -2 6 5 47.14 4.17 -2 6 4 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4 -3 34.35 5.93 10 4 -2 31.98 5.55 10 4 -1 14.27 3.89 10 4 0 49.50 7.12 10 4 1 2.84 2.43 -10 4 -2 15.07 3.80 10 5 -11 1.37 2.39 10 5 -10 7.66 3.62 10 5 -9 2.40 2.57 10 5 -8 5.66 3.14 -10 5 8 9.43 2.85 10 5 -7 20.12 4.63 -10 5 7 22.55 4.03 10 5 -6 2.01 2.41 -10 5 6 7.12 2.54 10 5 -5 23.31 4.62 -10 5 5 24.60 4.86 -10 5 5 18.38 3.70 10 5 -4 24.51 5.04 -10 5 4 29.60 5.05 10 5 -3 31.12 5.61 10 5 -2 6.07 2.66 10 5 -1 8.64 3.28 10 5 0 11.64 3.83 -10 5 -1 1.30 1.51 10 5 1 3.38 2.69 -10 5 -2 2.78 2.22 10 6 -11 -1.36 2.90 10 6 -10 -0.63 2.58 10 6 -9 42.33 6.88 10 6 -8 2.76 2.36 -10 6 8 0.41 1.61 10 6 -7 3.57 2.28 -10 6 7 5.98 2.37 10 6 -6 31.50 5.48 -10 6 6 32.16 5.12 10 6 -5 20.03 4.57 -10 6 5 24.57 4.37 10 6 -4 4.16 2.65 10 6 -3 3.65 2.50 10 6 -2 21.05 4.67 10 6 -1 27.79 5.21 10 6 0 4.97 2.90 -10 6 -1 5.09 2.17 -10 6 -2 0.91 1.69 10 7 -11 36.79 7.02 10 7 -10 22.91 5.35 10 7 -9 -1.15 3.10 10 7 -8 7.48 3.18 10 7 -7 35.98 5.74 10 7 -6 20.88 4.62 10 7 -5 5.46 2.68 10 7 -4 5.86 3.09 10 7 -3 7.20 2.99 10 7 -2 53.44 7.21 10 7 -1 2.14 2.29 10 7 0 13.02 4.15 -10 7 -1 21.73 4.25 -10 7 -2 0.88 1.55 10 8 -10 6.09 3.11 10 8 -9 7.80 3.31 10 8 -8 3.55 2.43 10 8 -7 0.48 1.89 10 8 -6 9.71 3.09 10 8 -5 6.37 2.97 10 8 -4 0.50 2.04 10 8 -3 11.55 3.64 10 8 -2 4.06 2.51 10 8 -1 7.20 3.19 -10 8 0 18.45 3.82 -10 8 -1 9.88 3.15 10 9 -10 4.75 3.12 10 9 -9 4.82 2.81 10 9 -8 0.48 1.87 10 9 -7 17.00 4.01 10 9 -6 8.18 3.14 10 9 -5 23.40 4.82 10 9 -4 32.37 5.43 10 9 -3 18.31 4.20 10 9 -2 1.43 2.04 10 9 -1 3.85 2.66 -10 9 0 10.07 2.93 -10 9 -1 9.18 2.80 10 10 -9 10.48 3.56 10 10 -8 6.90 3.02 10 10 -7 9.22 2.95 10 10 -6 0.43 1.93 10 10 -5 11.93 3.35 10 10 -4 1.21 1.80 10 10 -3 2.55 2.04 10 10 -2 13.82 3.69 -10 10 1 2.71 1.73 -10 10 0 19.33 3.93 11 -10 -9 8.01 3.37 11 -10 -8 1.48 2.03 11 -10 -7 15.00 4.03 11 -10 -6 3.97 2.74 11 -10 -5 -0.47 2.01 11 -10 -4 3.34 2.57 11 -10 -3 22.74 4.79 11 -10 -2 2.52 2.33 -11 -10 1 5.04 2.33 11 -9 -9 3.37 2.86 11 -9 -8 9.08 3.56 11 -9 -7 5.69 2.86 11 -9 -6 13.19 3.99 11 -9 -5 5.63 2.97 11 -9 -4 0.98 2.51 11 -9 -3 0.52 2.22 11 -9 -2 13.25 3.90 -11 -9 1 7.33 2.84 11 -9 -1 7.02 3.41 11 -8 -10 6.91 3.81 11 -8 -9 1.75 2.28 11 -8 -8 10.16 3.64 11 -8 -7 5.30 2.86 11 -8 -6 5.43 3.08 11 -8 -5 1.10 2.54 11 -8 -4 11.56 3.75 11 -8 -3 10.64 3.73 11 -8 -2 9.39 3.43 11 -8 -1 3.94 2.95 -11 -8 0 15.41 4.06 11 -7 -10 6.45 3.99 11 -7 -9 3.06 2.62 11 -7 -8 4.62 3.27 11 -7 -7 4.48 2.77 11 -7 -6 6.06 2.97 11 -7 -5 18.11 4.62 11 -7 -4 6.05 3.19 11 -7 -3 25.63 5.30 -11 -7 2 0.22 1.07 11 -7 -2 2.26 2.79 -11 -7 1 29.94 4.10 11 -7 -1 41.02 6.74 -11 -7 0 0.74 1.44 11 -7 0 0.59 2.29 -11 -7 0 2.57 2.10 11 -6 -10 2.63 2.70 11 -6 -9 3.16 2.81 11 -6 -8 21.37 5.07 11 -6 -7 0.58 2.38 11 -6 -6 6.52 3.30 11 -6 -5 27.71 5.53 11 -6 -4 2.26 2.61 -11 -6 3 4.76 1.32 11 -6 -3 2.70 2.41 -11 -6 2 1.59 1.23 11 -6 -2 2.27 2.43 11 -6 -1 -1.17 2.90 11 -6 0 2.41 2.58 11 -5 -10 12.65 4.29 11 -5 -9 7.73 3.56 11 -5 -9 -0.75 2.62 11 -5 -8 0.61 2.13 11 -5 -8 1.42 2.68 11 -5 -7 11.74 3.85 11 -5 -7 6.91 3.79 11 -5 -6 9.53 3.67 11 -5 -6 7.72 3.62 11 -5 -5 2.82 2.31 11 -5 -4 2.31 2.58 -11 -5 4 3.86 0.97 11 -5 -3 -0.56 2.06 11 -5 -2 8.40 3.40 11 -5 -1 11.81 3.88 11 -5 0 5.47 3.01 11 -4 -11 2.10 2.86 11 -4 -10 3.37 3.12 11 -4 -9 3.27 2.80 11 -4 -9 2.07 2.14 11 -4 -8 25.72 5.64 11 -4 -8 20.96 4.26 11 -4 -7 13.58 4.20 11 -4 -7 7.44 3.07 11 -4 -6 14.19 4.11 11 -4 -6 9.97 3.73 11 -4 -5 3.33 2.47 11 -4 -4 45.91 6.96 11 -4 -3 27.70 5.46 11 -4 -2 4.40 2.45 11 -4 -1 13.52 4.19 11 -4 0 35.21 6.34 -11 -4 -1 3.15 2.52 11 -3 -11 2.12 2.62 11 -3 -10 13.63 4.69 11 -3 -10 1.88 1.94 11 -3 -9 7.28 3.56 11 -3 -9 -0.31 1.74 11 -3 -8 9.55 3.69 11 -3 -8 0.34 1.93 11 -3 -7 7.71 3.36 11 -3 -7 3.31 2.37 11 -3 -6 14.35 3.62 11 -3 -6 44.00 6.66 11 -3 -5 7.64 3.38 -11 -3 5 7.48 1.20 11 -3 -4 0.56 2.30 11 -3 -3 6.58 2.88 11 -3 -2 10.74 3.46 11 -3 -1 10.43 3.80 11 -3 0 10.25 3.81 -11 -3 -1 -0.52 2.01 11 -3 1 -0.63 2.32 11 -2 -11 6.43 3.75 11 -2 -10 -0.69 2.94 11 -2 -10 0.23 1.24 11 -2 -9 9.99 4.04 11 -2 -8 7.07 3.37 11 -2 -8 -0.29 1.69 11 -2 -7 20.90 4.90 11 -2 -7 4.89 2.34 11 -2 -6 -1.15 2.55 11 -2 -6 -0.32 1.55 -11 -2 6 0.08 0.48 11 -2 -5 9.14 3.33 11 -2 -4 10.41 3.66 11 -2 -3 16.26 4.21 11 -2 -2 18.43 4.40 11 -2 -1 2.29 2.12 11 -2 0 2.99 2.56 11 -2 1 12.50 4.17 -11 -2 -1 10.17 3.22 -11 -1 6 46.67 3.67 11 0 -11 -0.72 2.36 11 0 -10 2.77 2.96 11 0 -9 2.68 2.48 11 0 -8 67.49 9.01 11 0 -7 2.97 2.54 -11 0 7 2.21 1.03 11 0 -6 9.07 3.65 -11 0 6 10.21 2.01 11 0 -5 18.26 4.41 11 0 -4 2.69 2.21 11 0 -3 42.25 6.59 11 0 -2 0.52 1.82 11 0 -1 -0.56 1.84 11 0 0 12.41 3.82 11 0 1 0.62 2.43 11 1 -11 22.43 5.84 11 1 -10 22.80 5.77 11 1 -9 15.98 4.68 11 1 -8 8.94 3.71 11 1 -7 32.43 6.05 -11 1 7 30.18 3.64 -11 1 6 51.54 4.94 11 1 -6 59.72 7.82 11 1 -5 52.37 7.03 11 1 -4 7.53 3.27 11 1 -3 3.22 2.65 11 1 -2 2.09 2.24 11 1 -1 25.98 5.33 11 1 0 -0.59 2.43 11 1 1 8.70 3.61 11 2 -11 7.91 3.78 11 2 -10 -0.69 2.40 11 2 -9 14.55 4.57 11 2 -8 6.31 3.40 -11 2 8 5.03 1.77 11 2 -7 19.23 4.72 -11 2 7 21.70 3.31 11 2 -6 -0.56 2.29 -11 2 6 -0.28 0.97 11 2 -5 6.28 2.97 11 2 -4 7.06 3.08 11 2 -3 11.88 3.85 11 2 -2 14.76 4.15 11 2 -1 5.14 2.74 11 2 0 -1.20 2.56 -11 2 -1 13.72 3.80 11 2 1 9.98 3.64 11 3 -11 -0.71 2.50 11 3 -10 17.69 4.94 11 3 -9 10.42 4.04 11 3 -8 5.59 3.07 -11 3 8 3.93 1.80 11 3 -7 5.75 3.10 -11 3 7 6.56 2.22 -11 3 6 38.68 4.80 11 3 -6 40.43 6.36 11 3 -5 11.23 3.69 11 3 -4 -0.55 1.93 11 3 -3 6.03 3.18 11 3 -2 12.42 3.79 11 3 -1 13.43 4.41 11 3 0 10.31 3.84 -11 3 -1 -0.49 1.99 11 3 1 1.88 2.45 11 4 -11 3.54 2.90 11 4 -10 2.68 2.87 11 4 -9 6.40 3.36 11 4 -8 30.38 5.96 -11 4 8 33.10 4.60 11 4 -7 12.39 3.89 -11 4 7 12.10 3.08 11 4 -6 7.66 3.11 -11 4 6 9.71 2.79 11 4 -5 -0.54 2.93 11 4 -4 34.82 6.21 11 4 -3 24.65 5.24 11 4 -2 2.78 1.94 11 4 -1 12.56 4.13 11 4 0 43.15 7.12 -11 4 -1 3.38 2.23 11 5 -10 9.27 3.67 11 5 -9 5.02 3.29 -11 5 9 4.80 2.24 11 5 -8 0.59 2.05 -11 5 8 1.14 1.55 11 5 -7 12.88 3.93 -11 5 7 12.65 3.14 11 5 -6 8.65 3.28 -11 5 6 6.85 2.50 11 5 -5 1.10 1.80 -11 5 5 1.51 1.74 11 5 -4 5.85 2.99 11 5 -3 -0.57 2.10 11 5 -2 12.67 3.98 11 5 -1 20.07 4.91 11 5 0 6.86 3.28 11 6 -10 -0.65 2.28 11 6 -9 3.67 2.73 11 6 -8 18.67 4.57 11 6 -7 1.10 2.36 11 6 -6 12.61 3.75 11 6 -5 31.79 5.86 11 6 -4 0.58 2.57 11 6 -3 3.35 2.59 11 6 -2 1.77 2.62 11 6 -1 0.61 2.00 11 6 0 1.25 2.56 11 7 -10 5.74 3.25 11 7 -9 5.32 2.93 11 7 -8 3.83 2.44 11 7 -7 8.01 3.31 11 7 -6 4.78 2.71 11 7 -5 7.85 3.54 11 7 -4 5.05 2.78 11 7 -3 26.50 5.35 11 7 -2 2.36 2.53 11 7 -1 36.12 6.42 -11 7 0 2.61 2.08 11 7 0 1.22 2.82 11 8 -9 3.38 2.51 11 8 -8 6.95 3.25 11 8 -7 7.18 3.30 11 8 -6 8.42 3.57 11 8 -5 0.55 2.56 11 8 -4 15.66 4.40 11 8 -3 17.48 4.56 11 8 -2 6.29 3.17 11 8 -1 5.81 3.37 11 9 -9 6.47 3.06 11 9 -8 8.70 3.30 11 9 -7 11.85 3.78 11 9 -6 10.20 3.35 11 9 -5 6.59 3.01 11 9 -4 2.47 2.36 11 9 -3 0.52 2.04 11 9 -2 14.94 3.98 -11 9 1 7.35 2.45 11 9 -1 7.04 3.29 11 10 -7 11.44 3.55 11 10 -6 2.91 2.24 11 10 -5 -0.46 1.98 11 10 -4 3.22 2.35 11 10 -3 21.05 4.51 12 -10 -6 5.25 3.04 12 -10 -5 0.51 2.26 12 -9 -7 0.57 2.45 12 -9 -6 1.13 2.32 12 -9 -5 5.43 3.08 12 -9 -4 4.98 2.98 12 -8 -8 0.58 2.28 12 -8 -7 16.02 4.55 12 -8 -6 4.88 3.02 12 -8 -5 3.49 3.14 12 -8 -4 0.56 2.70 12 -8 -3 9.53 3.98 12 -7 -8 6.14 3.87 12 -7 -7 0.60 2.45 12 -7 -6 0.61 2.39 12 -7 -5 8.44 3.74 12 -7 -4 27.35 5.59 12 -7 -3 2.41 2.58 12 -6 -9 3.23 2.53 12 -6 -8 1.91 2.49 12 -6 -7 18.69 4.75 12 -6 -6 0.62 2.30 12 -6 -5 1.90 2.35 12 -6 -4 4.83 3.08 12 -6 -3 7.19 3.23 12 -6 -2 20.91 5.12 12 -5 -9 7.25 3.27 12 -5 -8 8.39 3.66 12 -5 -7 -0.62 2.17 12 -5 -6 0.62 2.65 12 -5 -5 13.99 4.47 12 -5 -4 9.17 3.71 12 -5 -3 -0.59 1.94 12 -5 -2 0.63 1.74 12 -4 -9 2.70 2.51 12 -4 -9 0.36 2.04 12 -4 -8 5.85 3.69 12 -4 -7 8.22 3.75 12 -4 -6 30.79 5.98 12 -4 -5 -0.62 2.78 12 -4 -4 3.65 2.92 12 -4 -3 5.27 3.08 12 -4 -2 15.54 4.51 12 -3 -9 17.25 5.32 12 -3 -9 1.32 2.16 12 -3 -8 0.66 2.29 12 -3 -7 2.56 2.74 12 -3 -6 7.29 3.10 12 -3 -5 5.54 3.32 12 -3 -4 41.46 6.95 12 -3 -3 0.58 2.49 12 -3 -2 2.43 2.38 12 -3 -1 12.76 4.27 12 -2 -10 2.88 2.67 12 -2 -10 0.51 1.42 12 -2 -9 6.30 3.46 12 -2 -9 0.85 1.60 12 -2 -8 18.49 5.00 12 -2 -7 37.31 6.90 12 -2 -6 5.96 3.30 -12 -2 6 7.78 1.25 12 -2 -5 8.53 3.46 12 -2 -4 5.50 3.12 12 -2 -3 14.61 4.30 12 -2 -2 23.19 5.20 12 -2 -1 8.20 3.41 -12 -1 7 4.03 1.03 -12 -1 6 3.51 1.28 12 0 -10 7.25 3.59 12 0 -9 -0.70 2.30 12 0 -8 1.98 2.58 -12 0 7 40.72 3.80 12 0 -7 49.18 7.77 12 0 -6 0.59 2.64 -12 0 6 1.86 1.23 12 0 -5 -1.20 2.09 12 0 -4 2.43 2.25 12 0 -3 -0.58 2.38 12 0 -2 28.53 5.74 12 0 -1 1.87 2.43 12 1 -10 -0.72 3.22 12 1 -9 21.68 5.44 12 1 -8 13.76 4.51 -12 1 8 7.21 1.80 12 1 -7 4.44 2.93 -12 1 7 3.74 1.47 12 1 -6 1.18 2.06 -12 1 6 0.50 1.06 12 1 -5 30.49 6.04 12 1 -4 29.72 5.98 12 1 -3 3.49 2.59 12 1 -2 -0.58 1.77 12 1 -1 25.61 5.73 12 2 -9 3.46 2.83 12 2 -8 12.29 4.02 -12 2 8 14.57 2.68 12 2 -7 29.50 5.89 -12 2 7 31.99 4.08 12 2 -6 4.08 2.80 -12 2 6 7.75 2.14 12 2 -5 4.78 2.96 12 2 -4 4.85 3.09 12 2 -3 5.24 3.22 12 2 -2 21.42 5.14 12 2 -1 13.28 4.57 12 3 -9 24.48 5.75 12 3 -8 0.64 2.61 -12 3 8 3.01 1.71 12 3 -7 3.10 2.66 -12 3 7 4.29 1.78 12 3 -6 13.43 4.04 -12 3 6 11.60 2.92 12 3 -5 7.23 3.66 12 3 -4 41.02 6.72 12 3 -3 2.35 2.51 12 3 -2 0.61 2.13 12 4 -9 3.31 2.71 12 4 -8 7.50 3.55 -12 4 8 8.55 2.55 12 4 -7 9.11 3.53 -12 4 7 11.05 2.98 12 4 -6 36.06 6.49 -12 4 6 29.05 4.47 12 4 -5 2.44 2.72 12 4 -4 9.10 3.61 12 4 -3 1.78 2.07 12 4 -2 26.97 5.81 12 5 -9 7.01 3.44 12 5 -8 6.16 3.05 12 5 -7 0.59 1.80 12 5 -6 0.60 2.56 12 5 -5 15.49 4.62 12 5 -4 3.67 3.11 12 5 -3 1.20 2.35 12 5 -2 1.29 2.65 12 6 -8 6.65 3.18 12 6 -7 27.00 5.57 12 6 -6 -0.60 2.34 12 6 -5 1.89 2.34 12 6 -4 6.73 3.47 12 6 -3 9.21 3.88 12 6 -2 27.59 6.09 12 7 -8 6.42 3.31 12 7 -7 0.57 1.98 12 7 -6 1.18 2.42 12 7 -5 9.06 3.81 12 7 -4 25.59 5.42 12 7 -3 8.68 3.69 12 8 -7 18.10 4.67 12 8 -6 7.65 3.64 12 8 -5 4.05 3.20 12 8 -4 0.57 2.81 12 8 -3 4.27 3.02 12 9 -7 3.29 2.87 12 9 -6 -1.11 2.90 12 9 -5 4.85 3.06 12 9 -4 6.59 3.26 13 -2 -6 6.07 3.54 13 0 -7 4.63 3.06 13 0 -6 13.32 4.30 13 0 -5 2.02 2.76 13 1 -6 -0.66 2.83 13 1 -5 6.05 3.81 13 2 -6 9.90 4.09 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 65826 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.4886(10) 0.2880(6) 0.0332(8) 0.0379(19) Uani 1 1 d . . . . . H1D H 0.4419 0.3253 -0.0577 0.045 Uiso 1 1 calc R U . . . H1E H 0.5822 0.3221 0.0857 0.045 Uiso 1 1 calc R U . . . C2 C 0.4017(8) 0.3049(5) 0.1117(7) 0.0277(15) Uani 1 1 d . . . . . C3 C 0.2535(8) 0.3137(6) 0.0406(8) 0.0347(16) Uani 1 1 d . . . . . H3 H 0.2081 0.3116 -0.0576 0.042 Uiso 1 1 calc R U . . . C4 C 0.1725(8) 0.3255(7) 0.1126(9) 0.0422(18) Uani 1 1 d . . . . . H4 H 0.0730 0.3274 0.0643 0.051 Uiso 1 1 calc R U . . . C5 C 0.2413(8) 0.3344(7) 0.2570(9) 0.0394(18) Uani 1 1 d . . . . . C6 C 0.3894(9) 0.3249(7) 0.3326(8) 0.0396(17) Uani 1 1 d . . . . . H6 H 0.4339 0.3272 0.4307 0.048 Uiso 1 1 calc R U . . . C7 C 0.4678(7) 0.3122(6) 0.2594(7) 0.0309(15) Uani 1 1 d . . . . . H7 H 0.5671 0.3084 0.3085 0.037 Uiso 1 1 calc R U . . . C8 C 0.7849(9) 0.1441(7) -0.1143(9) 0.0361(18) Uani 1 1 d . . . . . H8A H 0.7941 0.2245 -0.1255 0.043 Uiso 1 1 calc R U . . . H8B H 0.8252 0.1042 -0.1682 0.043 Uiso 1 1 calc R U . . . C9 C 0.8658(10) 0.1125(8) 0.0402(9) 0.0392(18) Uani 1 1 d . . . . . H9A H 0.8481 0.0341 0.0538 0.047 Uiso 1 1 calc R U . . . H9B H 0.9680 0.1226 0.0726 0.047 Uiso 1 1 calc R U . . . C10 C 0.8898(9) 0.1642(8) 0.2656(9) 0.043(2) Uani 1 1 d . . . . . H10A H 0.8765 0.2290 0.3145 0.052 Uiso 1 1 calc R U . . . H10B H 0.9916 0.1574 0.2934 0.052 Uiso 1 1 calc R U . . . C11 C 0.8400(9) 0.0594(8) 0.3121(9) 0.0404(19) Uani 1 1 d . . . . . H11A H 0.8538 -0.0066 0.2651 0.048 Uiso 1 1 calc R U . . . H11B H 0.8952 0.0491 0.4132 0.048 Uiso 1 1 calc R U . . . C12 C 0.6428(10) -0.0128(7) 0.3399(9) 0.0400(19) Uani 1 1 d . . . . . H12A H 0.6958 -0.0079 0.4418 0.048 Uiso 1 1 calc R U . . . H12B H 0.6594 -0.0869 0.3109 0.048 Uiso 1 1 calc R U . . . C13 C 0.4865(11) 0.0027(7) 0.2960(9) 0.039(2) Uani 1 1 d . . . . . H13A H 0.4555 -0.0500 0.3469 0.047 Uiso 1 1 calc R U . . . H13B H 0.4691 0.0788 0.3188 0.047 Uiso 1 1 calc R U . . . C14 C 0.2596(10) 0.0041(7) 0.1001(10) 0.040(2) Uani 1 1 d . . . . . H14A H 0.2451 0.0810 0.1226 0.048 Uiso 1 1 calc R U . . . H14B H 0.2222 -0.0468 0.1473 0.048 Uiso 1 1 calc R U . . . C15 C 0.1819(9) -0.0138(7) -0.0563(9) 0.0379(18) Uani 1 1 d . . . . . H15A H 0.2025 -0.0887 -0.0796 0.046 Uiso 1 1 calc R U . . . H15B H 0.0794 -0.0080 -0.0879 0.046 Uiso 1 1 calc R U . . . C16 C 0.1649(10) 0.0557(8) -0.2728(9) 0.047(2) Uani 1 1 d . . . . . H16A H 0.0623 0.0452 -0.3097 0.057 Uiso 1 1 calc R U . . . H16B H 0.2045 -0.0108 -0.2960 0.057 Uiso 1 1 calc R U . . . C17 C 0.1949(9) 0.1582(8) -0.3381(9) 0.046(2) Uani 1 1 d . . . . . H17A H 0.1483 0.1494 -0.4399 0.055 Uiso 1 1 calc R U . . . H17B H 0.1530 0.2236 -0.3155 0.055 Uiso 1 1 calc R U . . . C18 C 0.4061(10) 0.1075(8) -0.3597(9) 0.0414(19) Uani 1 1 d . . . . . H18A H 0.3539 0.1155 -0.4614 0.050 Uiso 1 1 calc R U . . . H18B H 0.4000 0.0292 -0.3358 0.050 Uiso 1 1 calc R U . . . C19 C 0.5615(11) 0.1406(8) -0.3100(9) 0.048(2) Uani 1 1 d . . . . . H19A H 0.6018 0.0992 -0.3628 0.058 Uiso 1 1 calc R U . . . H19B H 0.5683 0.2207 -0.3251 0.058 Uiso 1 1 calc R U . . . Cl1 Cl 0.85449(18) 0.32392(17) 0.61355(18) 0.0360(5) Uani 1 1 d . . . . . F1 F 0.1630(7) 0.3473(5) 0.3283(7) 0.0654(17) Uani 1 1 d . . . . . N1 N 0.5059(6) 0.1664(5) 0.0117(6) 0.0267(12) Uani 1 1 d . . . . . H1A H 0.5526 0.1327 0.0951 0.040 Uiso 1 1 calc R U . . . H1B H 0.5555 0.1587 -0.0377 0.040 Uiso 1 1 calc R U . . . H1C H 0.4200 0.1348 -0.0353 0.040 Uiso 1 1 calc R U . . . O1 O 0.8395(10) 0.2013(6) 0.5945(9) 0.071(2) Uani 1 1 d . . . . . O2 O 0.7177(7) 0.3643(8) 0.5838(7) 0.067(2) Uani 1 1 d . . . . . O3 O 0.9535(6) 0.3436(7) 0.7562(6) 0.0550(18) Uani 1 1 d . . . . . O4 O 0.9058(8) 0.3635(7) 0.5195(7) 0.0582(19) Uani 1 1 d . . . . . O5 O 0.8164(6) 0.1845(4) 0.1167(6) 0.0332(12) Uani 1 1 d . . . . . O6 O 0.6908(6) 0.0724(4) 0.2762(5) 0.0334(12) Uani 1 1 d . . . . . O7 O 0.4063(6) -0.0161(4) 0.1473(6) 0.0336(12) Uani 1 1 d . . . . . O8 O 0.2271(6) 0.0695(4) -0.1251(5) 0.0337(12) Uani 1 1 d . . . . . O9 O 0.3449(6) 0.1793(4) -0.2924(6) 0.0353(12) Uani 1 1 d . . . . . O10 O 0.6370(6) 0.1152(4) -0.1660(5) 0.0309(11) Uani 1 1 d . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.049(5) 0.024(4) 0.035(4) 0.003(3) 0.014(4) -0.005(3) C2 0.033(4) 0.017(3) 0.028(3) -0.001(3) 0.009(3) -0.002(3) C3 0.032(4) 0.026(4) 0.029(4) 0.000(3) -0.001(3) 0.007(3) C4 0.033(4) 0.029(4) 0.051(5) -0.007(4) 0.007(4) 0.009(4) C5 0.040(4) 0.032(4) 0.051(5) -0.011(4) 0.024(4) -0.004(4) C6 0.052(5) 0.032(4) 0.030(4) -0.005(3) 0.014(4) 0.003(4) C7 0.024(3) 0.027(3) 0.028(4) -0.001(3) -0.001(3) 0.001(3) C8 0.036(4) 0.041(4) 0.036(4) -0.003(3) 0.021(4) -0.004(3) C9 0.040(5) 0.040(4) 0.040(5) -0.002(3) 0.020(4) 0.005(3) C10 0.031(4) 0.057(5) 0.028(4) -0.009(4) 0.002(4) -0.006(4) C11 0.028(4) 0.055(5) 0.025(4) 0.008(3) 0.000(3) 0.014(4) C12 0.053(5) 0.030(4) 0.028(4) 0.008(3) 0.010(4) 0.000(3) C13 0.058(6) 0.029(4) 0.029(4) 0.004(3) 0.019(4) -0.004(3) C14 0.045(5) 0.031(4) 0.055(5) 0.007(3) 0.033(5) 0.002(3) C15 0.034(4) 0.028(4) 0.050(5) -0.004(3) 0.018(4) -0.006(3) C16 0.032(5) 0.061(6) 0.034(5) -0.014(4) 0.002(4) -0.010(4) C17 0.027(4) 0.064(6) 0.030(4) -0.006(4) -0.001(4) -0.005(4) C18 0.044(5) 0.045(5) 0.026(4) -0.008(3) 0.008(4) 0.003(4) C19 0.059(6) 0.062(6) 0.025(4) 0.000(4) 0.020(4) 0.001(4) Cl1 0.0272(9) 0.0548(11) 0.0222(9) 0.0045(8) 0.0078(7) 0.0031(9) F1 0.074(4) 0.062(4) 0.080(4) -0.022(3) 0.052(4) -0.005(3) N1 0.024(3) 0.032(3) 0.020(3) -0.002(2) 0.006(2) -0.003(2) O1 0.101(7) 0.042(4) 0.080(5) -0.013(3) 0.050(5) -0.010(4) O2 0.035(4) 0.106(6) 0.047(4) 0.001(4) 0.008(3) 0.022(4) O3 0.037(3) 0.093(5) 0.020(3) 0.000(3) 0.000(3) -0.009(3) O4 0.063(4) 0.081(5) 0.038(3) -0.004(3) 0.031(3) -0.018(4) O5 0.028(3) 0.034(3) 0.032(3) -0.003(2) 0.009(2) 0.001(2) O6 0.031(3) 0.034(3) 0.027(3) 0.006(2) 0.006(2) 0.003(2) O7 0.033(3) 0.032(3) 0.035(3) 0.001(2) 0.015(3) 0.003(2) O8 0.030(3) 0.033(3) 0.029(3) -0.006(2) 0.005(2) -0.009(2) O9 0.030(3) 0.036(3) 0.028(3) 0.000(2) 0.003(2) 0.003(2) O10 0.031(3) 0.033(3) 0.026(3) 0.003(2) 0.012(2) 0.001(2) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag N1 C1 C2 111.3(6) . . ? C3 C2 C7 118.2(7) . . ? C3 C2 C1 121.0(7) . . ? C7 C2 C1 120.8(7) . . ? C4 C3 C2 121.2(7) . . ? C5 C4 C3 118.8(7) . . ? F1 C5 C4 119.2(7) . . ? F1 C5 C6 118.9(7) . . ? C4 C5 C6 121.9(7) . . ? C7 C6 C5 118.4(7) . . ? C6 C7 C2 121.4(7) . . ? O10 C8 C9 109.9(6) . . ? O5 C9 C8 107.4(7) . . ? O5 C10 C11 113.8(6) . . ? O6 C11 C10 108.4(6) . . ? O6 C12 C13 109.4(6) . . ? O7 C13 C12 110.0(7) . . ? O7 C14 C15 109.5(7) . . ? O8 C15 C14 109.1(6) . . ? O8 C16 C17 109.3(7) . . ? O9 C17 C16 114.0(7) . . ? O9 C18 C19 108.7(7) . . ? O10 C19 C18 108.4(7) . . ? O2 Cl1 O4 113.6(5) . . ? O2 Cl1 O3 111.5(4) . . ? O4 Cl1 O3 111.9(4) . . ? O2 Cl1 O1 105.8(5) . . ? O4 Cl1 O1 106.5(5) . . ? O3 Cl1 O1 107.0(5) . . ? C9 O5 C10 112.0(6) . . ? C9 O5 H1A 115.3 . . ? C10 O5 H1A 94.4 . . ? C12 O6 C11 111.6(6) . . ? C14 O7 C13 111.9(6) . . ? C16 O8 C15 113.2(6) . . ? C18 O9 C17 113.0(6) . . ? C19 O10 C8 110.6(6) . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C1 N1 1.480(9) . ? C1 C2 1.493(12) . ? C2 C3 1.389(10) . ? C2 C7 1.401(10) . ? C3 C4 1.377(12) . ? C4 C5 1.372(12) . ? C5 F1 1.347(9) . ? C5 C6 1.391(11) . ? C6 C7 1.365(11) . ? C8 O10 1.429(10) . ? C8 C9 1.514(12) . ? C9 O5 1.423(10) . ? C10 O5 1.432(10) . ? C10 C11 1.511(13) . ? C11 O6 1.437(10) . ? C12 O6 1.424(10) . ? C12 C13 1.494(14) . ? C13 O7 1.432(10) . ? C14 O7 1.402(11) . ? C14 C15 1.498(13) . ? C15 O8 1.427(10) . ? C16 O8 1.410(10) . ? C16 C17 1.498(14) . ? C17 O9 1.439(10) . ? C18 O9 1.430(10) . ? C18 C19 1.516(14) . ? C19 O10 1.401(10) . ? Cl1 O2 1.402(7) . ? Cl1 O4 1.407(6) . ? Cl1 O3 1.417(6) . ? Cl1 O1 1.464(7) . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A N1 H1C O9 0.89 2.53 2.895(8) 105.3 . N1 H1B O5 0.89 2.49 2.926(8) 110.8 . N1 H1A O6 0.89 1.95 2.824(7) 167.7 . N1 H1A O7 0.89 2.55 3.024(8) 114.2 . N1 H1B O10 0.89 1.97 2.845(8) 167.9 . N1 H1C O8 0.89 1.96 2.847(8) 174.9 . C10 H10A O4 0.97 2.60 3.525(11) 160.0 . C13 H13A O2 0.97 2.45 3.359(11) 154.9 2_646 C16 H16B O4 0.97 2.59 3.289(12) 129.2 2_645 loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag N1 C1 C2 C3 -89.0(8) . . . . ? N1 C1 C2 C7 91.0(8) . . . . ? C7 C2 C3 C4 -2.2(11) . . . . ? C1 C2 C3 C4 177.8(7) . . . . ? C2 C3 C4 C5 3.4(12) . . . . ? C3 C4 C5 F1 179.2(8) . . . . ? C3 C4 C5 C6 -4.0(13) . . . . ? F1 C5 C6 C7 -179.8(8) . . . . ? C4 C5 C6 C7 3.4(12) . . . . ? C5 C6 C7 C2 -2.1(12) . . . . ? C3 C2 C7 C6 1.6(10) . . . . ? C1 C2 C7 C6 -178.4(7) . . . . ? O10 C8 C9 O5 -67.4(8) . . . . ? O5 C10 C11 O6 -61.1(9) . . . . ? O6 C12 C13 O7 65.4(8) . . . . ? O7 C14 C15 O8 -65.6(8) . . . . ? O8 C16 C17 O9 60.9(10) . . . . ? O9 C18 C19 O10 66.6(9) . . . . ? C8 C9 O5 C10 -178.1(7) . . . . ? C8 C9 O5 H1A 75.4 . . . . ? C11 C10 O5 C9 -76.9(9) . . . . ? C11 C10 O5 H1A 42.7 . . . . ? C13 C12 O6 C11 -178.4(7) . . . . ? C10 C11 O6 C12 -169.0(7) . . . . ? C15 C14 O7 C13 178.5(6) . . . . ? C12 C13 O7 C14 -176.6(6) . . . . ? C17 C16 O8 C15 169.0(7) . . . . ? C14 C15 O8 C16 176.9(7) . . . . ? C19 C18 O9 C17 177.1(7) . . . . ? C16 C17 O9 C18 77.8(9) . . . . ? C18 C19 O10 C8 179.5(6) . . . . ? C9 C8 O10 C19 -178.1(7) . . . . ?