#------------------------------------------------------------------------------ #$Date: 2020-05-07 02:50:15 +0300 (Thu, 07 May 2020) $ #$Revision: 251843 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/24/04/7240478.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_7240478 loop_ _publ_author_name 'Alotaibi, Nusaybah' 'Hammud, Hassan H.' 'Karnati, Ranjith Kumar' 'Hussain, Syed Ghazanfar' 'Mazher, Javed' 'Prakasam, Thirumurugan' _publ_section_title ; Cobalt--carbon/silica nanocomposites prepared by pyrolysis of a cobalt 2,2′-bipyridine terephthalate complex for remediation of cationic dyes ; _journal_issue 30 _journal_name_full 'RSC Advances' _journal_page_first 17660 _journal_paper_doi 10.1039/D0RA02752A _journal_volume 10 _journal_year 2020 _chemical_formula_sum 'C18 H12 Co N2 O4' _chemical_formula_weight 379.23 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2018/3 _audit_update_record ; 2019-11-17 deposited with the CCDC. 2020-04-28 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 94.770(2) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.3164(10) _cell_length_b 23.412(3) _cell_length_c 12.3254(17) _cell_measurement_reflns_used 634 _cell_measurement_temperature 296(2) _cell_measurement_theta_max 20 _cell_measurement_theta_min 2 _cell_volume 2103.9(5) _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _diffrn_ambient_temperature 296(2) _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.995 _diffrn_measurement_device_type 'Bruker d8 quest' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0426 _diffrn_reflns_av_unetI/netI 0.0466 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.995 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 29 _diffrn_reflns_limit_k_min -31 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_number 16361 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.995 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 28.288 _diffrn_reflns_theta_min 1.740 _exptl_absorpt_coefficient_mu 0.835 _exptl_absorpt_correction_T_max 0.7457 _exptl_absorpt_correction_T_min 0.6298 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details sadabs _exptl_crystal_density_diffrn 1.197 _exptl_crystal_F_000 772 _refine_diff_density_max 0.446 _refine_diff_density_min -0.696 _refine_diff_density_rms 0.069 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.046 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 226 _refine_ls_number_reflns 5203 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.046 _refine_ls_R_factor_all 0.0543 _refine_ls_R_factor_gt 0.0407 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0428P)^2^+1.0660P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0945 _refine_ls_wR_factor_ref 0.0982 _reflns_Friedel_coverage 0.000 _reflns_number_gt 4101 _reflns_number_total 5203 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d0ra02752a2.cif _cod_data_source_block C:\Users\MATTEO1_LUS\Desktop\work\mo_40_0m_sqd _cod_original_sg_symbol_H-M 'P 21/c' _cod_database_code 7240478 _shelx_shelxl_version_number 2018/3 _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. ; _shelx_res_file ; TITL mo_40_0m_a.res in P2(1)/c C:\Users\MATTEO~1.LUS\Desktop\work\mo_40_0m_sqd.res created by SHELXL-2018/3 at 09:57:37 on 04-Nov-2019 CELL 0.71073 7.3164 23.4118 12.3254 90.000 94.770 90.000 ZERR 4.0000 0.0010 0.0031 0.0017 0.000 0.002 0.000 LATT 1 SYMM -X, 0.5+Y, 0.5-Z SFAC C CO N O H UNIT 72 4 8 16 48 FREE Co1 C15 ACTA FMAP 2 1 53 GRID PLAN 5 0 0 MERG 2 TEMP 23 L.S. 20 WGHT 0.042800 1.066000 FVAR 3.63272 CO1 2 0.737501 0.367245 0.459515 11.00000 0.00869 0.01496 = 0.01491 -0.00017 0.00020 -0.00017 C1 1 0.775850 0.490970 0.435683 11.00000 0.01102 0.01791 = 0.05252 0.00476 -0.01593 0.00015 N2 3 0.785874 0.442602 0.376572 11.00000 0.01213 0.02081 = 0.03003 0.00765 -0.00416 -0.00215 C3 1 0.830081 0.445670 0.273708 11.00000 0.01978 0.04012 = 0.03712 0.01832 -0.00246 -0.00531 AFIX 43 H3 5 0.835600 0.412185 0.233519 11.00000 -1.20000 AFIX 0 C4 1 0.868003 0.497291 0.225021 11.00000 0.02385 0.06151 = 0.05609 0.04035 -0.00787 -0.00878 AFIX 43 H4 5 0.899176 0.498718 0.153444 11.00000 -1.20000 AFIX 0 C5 1 0.858020 0.546626 0.286259 11.00000 0.02833 0.03825 = 0.10239 0.04675 -0.03161 -0.01852 AFIX 43 H5 5 0.882996 0.581796 0.255678 11.00000 -1.20000 AFIX 0 C6 1 0.811443 0.543975 0.391950 11.00000 0.03206 0.02102 = 0.07838 0.01578 -0.03000 -0.00364 AFIX 43 H6 5 0.803982 0.577028 0.433201 11.00000 -1.20000 AFIX 0 C7 1 0.725303 0.483300 0.548182 11.00000 0.01138 0.02249 = 0.04659 -0.01099 -0.01441 0.00909 N8 3 0.699718 0.428854 0.578793 11.00000 0.00977 0.02732 = 0.02911 -0.01028 -0.00300 0.00274 C9 1 0.652061 0.417864 0.679795 11.00000 0.01706 0.05713 = 0.02690 -0.01601 0.00178 0.00248 AFIX 43 H9 5 0.634708 0.380116 0.700074 11.00000 -1.20000 AFIX 0 C10 1 0.627898 0.460789 0.754710 11.00000 0.02545 0.08772 = 0.03860 -0.03714 0.00199 0.01278 AFIX 43 H10 5 0.594809 0.452116 0.824061 11.00000 -1.20000 AFIX 0 C11 1 0.653845 0.516238 0.724298 11.00000 0.03062 0.07680 = 0.06803 -0.05245 -0.01678 0.02997 AFIX 43 H11 5 0.638101 0.545749 0.773164 11.00000 -1.20000 AFIX 0 C12 1 0.703190 0.528331 0.621506 11.00000 0.02918 0.02885 = 0.08189 -0.02555 -0.03025 0.01942 AFIX 43 H12 5 0.721761 0.565927 0.600675 11.00000 -1.20000 AFIX 0 O13 4 0.680519 0.313481 0.316493 11.00000 0.00842 0.02850 = 0.02407 -0.00999 0.00091 0.00049 O14 4 0.463626 0.349753 0.408790 11.00000 0.01139 0.01779 = 0.01662 -0.00528 0.00134 0.00025 C15 1 0.512811 0.318724 0.331629 11.00000 0.01143 0.01192 = 0.01670 0.00048 0.00001 0.00019 C16 1 0.369769 0.287909 0.260207 11.00000 0.00994 0.01685 = 0.01595 -0.00224 -0.00007 0.00042 C17 1 0.183962 0.297235 0.271856 11.00000 0.01325 0.01801 = 0.01992 -0.00683 0.00306 0.00063 AFIX 43 H17 5 0.148698 0.323628 0.322506 11.00000 -1.20000 AFIX 0 C18 1 0.051530 0.267057 0.207719 11.00000 0.00727 0.02729 = 0.02490 -0.00686 0.00113 0.00073 AFIX 43 H18 5 -0.072296 0.273880 0.214251 11.00000 -1.20000 AFIX 0 C19 1 0.104674 0.226682 0.133842 11.00000 0.01004 0.02189 = 0.01595 -0.00285 0.00102 -0.00020 C20 1 0.290781 0.217163 0.121060 11.00000 0.01302 0.02341 = 0.02133 -0.00930 0.00314 0.00146 AFIX 43 H20 5 0.325845 0.190541 0.070772 11.00000 -1.20000 AFIX 0 C21 1 0.422608 0.248046 0.184564 11.00000 0.00917 0.02597 = 0.02347 -0.00967 0.00285 0.00147 AFIX 43 H21 5 0.546434 0.242086 0.176542 11.00000 -1.20000 AFIX 0 C22 1 -0.037611 0.192551 0.067522 11.00000 0.01150 0.02074 = 0.01473 -0.00205 0.00034 0.00002 O23 4 0.012385 0.155039 0.001832 11.00000 0.01138 0.01942 = 0.01830 -0.00470 0.00113 -0.00138 O24 4 -0.206265 0.200186 0.078110 11.00000 0.00976 0.03077 = 0.02549 -0.01046 0.00088 0.00131 HKLF 4 REM mo_40_0m_a.res in P2(1)/c REM wR2 = 0.0982, GooF = S = 1.046, Restrained GooF = 1.046 for all data REM R1 = 0.0407 for 4101 Fo > 4sig(Fo) and 0.0543 for all 5203 data REM 226 parameters refined using 0 restraints END WGHT 0.0427 1.0715 REM Highest difference peak 0.446, deepest hole -0.696, 1-sigma level 0.069 Q1 1 0.7194 0.3992 0.5424 11.00000 0.05 0.45 Q2 1 0.3968 0.2602 0.2428 11.00000 0.05 0.41 Q3 1 0.7224 0.5420 0.5749 11.00000 0.05 0.41 Q4 1 0.7157 0.3638 0.3834 11.00000 0.05 0.36 Q5 1 0.7546 0.3222 0.4583 11.00000 0.05 0.36 ; _shelx_res_checksum 12390 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' 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 Co1 Co 0.73750(3) 0.36724(2) 0.45951(2) 0.01289(8) Uani 1 1 d . . . . . C1 C 0.7759(3) 0.49097(10) 0.4357(2) 0.0282(5) Uani 1 1 d . . . . . N2 N 0.7859(2) 0.44260(8) 0.37657(15) 0.0213(4) Uani 1 1 d . . . . . C3 C 0.8301(3) 0.44567(12) 0.2737(2) 0.0326(6) Uani 1 1 d . . . . . H3 H 0.835600 0.412185 0.233519 0.039 Uiso 1 1 calc R U . . . C4 C 0.8680(3) 0.49729(15) 0.2250(3) 0.0478(8) Uani 1 1 d . . . . . H4 H 0.899176 0.498718 0.153444 0.057 Uiso 1 1 calc R U . . . C5 C 0.8580(4) 0.54663(13) 0.2863(3) 0.0584(11) Uani 1 1 d . . . . . H5 H 0.882996 0.581796 0.255678 0.070 Uiso 1 1 calc R U . . . C6 C 0.8114(4) 0.54398(11) 0.3919(3) 0.0458(8) Uani 1 1 d . . . . . H6 H 0.803982 0.577028 0.433201 0.055 Uiso 1 1 calc R U . . . C7 C 0.7253(3) 0.48330(10) 0.5482(2) 0.0278(5) Uani 1 1 d . . . . . N8 N 0.6997(2) 0.42885(8) 0.57879(15) 0.0223(4) Uani 1 1 d . . . . . C9 C 0.6521(3) 0.41786(13) 0.67979(19) 0.0337(6) Uani 1 1 d . . . . . H9 H 0.634708 0.380116 0.700074 0.040 Uiso 1 1 calc R U . . . C10 C 0.6279(3) 0.46079(16) 0.7547(2) 0.0506(9) Uani 1 1 d . . . . . H10 H 0.594809 0.452116 0.824061 0.061 Uiso 1 1 calc R U . . . C11 C 0.6538(4) 0.51624(17) 0.7243(3) 0.0597(11) Uani 1 1 d . . . . . H11 H 0.638101 0.545749 0.773164 0.072 Uiso 1 1 calc R U . . . C12 C 0.7032(3) 0.52833(12) 0.6215(3) 0.0486(9) Uani 1 1 d . . . . . H12 H 0.721761 0.565927 0.600675 0.058 Uiso 1 1 calc R U . . . O13 O 0.68052(18) 0.31348(6) 0.31649(12) 0.0204(3) Uani 1 1 d . . . . . O14 O 0.46363(17) 0.34975(6) 0.40879(11) 0.0153(3) Uani 1 1 d . . . . . C15 C 0.5128(2) 0.31872(8) 0.33163(15) 0.0134(4) Uani 1 1 d . . . . . C16 C 0.3698(2) 0.28791(8) 0.26021(16) 0.0143(4) Uani 1 1 d . . . . . C17 C 0.1840(3) 0.29723(9) 0.27186(16) 0.0170(4) Uani 1 1 d . . . . . H17 H 0.148698 0.323628 0.322506 0.020 Uiso 1 1 calc R U . . . C18 C 0.0515(2) 0.26706(9) 0.20772(17) 0.0198(4) Uani 1 1 d . . . . . H18 H -0.072296 0.273880 0.214251 0.024 Uiso 1 1 calc R U . . . C19 C 0.1047(2) 0.22668(9) 0.13384(16) 0.0160(4) Uani 1 1 d . . . . . C20 C 0.2908(3) 0.21716(9) 0.12106(17) 0.0192(4) Uani 1 1 d . . . . . H20 H 0.325845 0.190541 0.070772 0.023 Uiso 1 1 calc R U . . . C21 C 0.4226(3) 0.24805(9) 0.18456(17) 0.0195(4) Uani 1 1 d . . . . . H21 H 0.546434 0.242086 0.176542 0.023 Uiso 1 1 calc R U . . . C22 C -0.0376(2) 0.19255(9) 0.06752(16) 0.0157(4) Uani 1 1 d . . . . . O23 O 0.01239(17) 0.15504(6) 0.00183(11) 0.0164(3) Uani 1 1 d . . . . . O24 O -0.20626(18) 0.20019(7) 0.07811(12) 0.0220(3) 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 Co1 0.00869(12) 0.01496(14) 0.01491(13) -0.00017(11) 0.00020(8) -0.00017(10) C1 0.0110(9) 0.0179(11) 0.0525(15) 0.0048(10) -0.0159(9) 0.0002(8) N2 0.0121(8) 0.0208(9) 0.0300(10) 0.0076(7) -0.0042(7) -0.0022(7) C3 0.0198(10) 0.0401(15) 0.0371(14) 0.0183(11) -0.0025(9) -0.0053(10) C4 0.0239(12) 0.062(2) 0.0561(18) 0.0403(16) -0.0079(12) -0.0088(12) C5 0.0283(14) 0.0382(18) 0.102(3) 0.0468(18) -0.0316(16) -0.0185(12) C6 0.0321(13) 0.0210(13) 0.078(2) 0.0158(13) -0.0300(14) -0.0036(10) C7 0.0114(9) 0.0225(12) 0.0466(14) -0.0110(10) -0.0144(9) 0.0091(8) N8 0.0098(7) 0.0273(10) 0.0291(10) -0.0103(8) -0.0030(7) 0.0027(7) C9 0.0171(10) 0.0571(17) 0.0269(12) -0.0160(11) 0.0018(8) 0.0025(10) C10 0.0255(13) 0.088(3) 0.0386(16) -0.0371(16) 0.0020(11) 0.0128(14) C11 0.0306(14) 0.077(3) 0.068(2) -0.052(2) -0.0168(14) 0.0300(15) C12 0.0292(13) 0.0289(14) 0.082(2) -0.0255(14) -0.0302(14) 0.0194(11) O13 0.0084(6) 0.0285(8) 0.0241(7) -0.0100(6) 0.0009(5) 0.0005(6) O14 0.0114(6) 0.0178(7) 0.0166(7) -0.0053(5) 0.0013(5) 0.0002(5) C15 0.0114(8) 0.0119(9) 0.0167(9) 0.0005(7) 0.0000(7) 0.0002(7) C16 0.0099(8) 0.0169(10) 0.0159(9) -0.0022(7) -0.0001(7) 0.0004(7) C17 0.0133(9) 0.0180(10) 0.0199(10) -0.0068(8) 0.0031(7) 0.0006(7) C18 0.0073(8) 0.0273(12) 0.0249(11) -0.0069(9) 0.0011(7) 0.0007(8) C19 0.0100(8) 0.0219(11) 0.0159(9) -0.0028(8) 0.0010(7) -0.0002(7) C20 0.0130(9) 0.0234(11) 0.0213(10) -0.0093(8) 0.0031(7) 0.0015(8) C21 0.0092(8) 0.0260(11) 0.0235(10) -0.0097(8) 0.0028(7) 0.0015(8) C22 0.0115(8) 0.0207(10) 0.0147(9) -0.0020(8) 0.0003(7) 0.0000(7) O23 0.0114(6) 0.0194(7) 0.0183(7) -0.0047(6) 0.0011(5) -0.0014(5) O24 0.0098(6) 0.0308(9) 0.0255(8) -0.0105(6) 0.0009(5) 0.0013(6) 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' Co Co 0.3494 0.9721 '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' H H 0.0000 0.0000 '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 N2 Co1 O14 102.53(6) . . ? N2 Co1 N8 78.41(8) . . ? O14 Co1 N8 99.54(6) . . ? N2 Co1 O23 97.69(6) . 4_666 ? O14 Co1 O23 154.16(6) . 4_666 ? N8 Co1 O23 100.15(6) . 4_666 ? N2 Co1 O24 156.48(6) . 4_666 ? O14 Co1 O24 100.52(5) . 4_666 ? N8 Co1 O24 93.26(7) . 4_666 ? O23 Co1 O24 61.81(5) 4_666 4_666 ? N2 Co1 O13 96.96(7) . . ? O14 Co1 O13 61.98(5) . . ? N8 Co1 O13 159.83(6) . . ? O23 Co1 O13 99.92(5) 4_666 . ? O24 Co1 O13 97.92(6) 4_666 . ? N2 Co1 C22 127.79(6) . 4_666 ? O14 Co1 C22 129.11(6) . 4_666 ? N8 Co1 C22 97.65(7) . 4_666 ? O23 Co1 C22 30.98(6) 4_666 4_666 ? O24 Co1 C22 30.83(6) 4_666 4_666 ? O13 Co1 C22 100.55(6) . 4_666 ? N2 C1 C6 121.3(3) . . ? N2 C1 C7 115.7(2) . . ? C6 C1 C7 123.0(3) . . ? C3 N2 C1 119.6(2) . . ? C3 N2 Co1 125.12(17) . . ? C1 N2 Co1 115.20(16) . . ? N2 C3 C4 122.0(3) . . ? C5 C4 C3 118.0(3) . . ? C6 C5 C4 120.5(2) . . ? C5 C6 C1 118.6(3) . . ? N8 C7 C12 120.2(3) . . ? N8 C7 C1 115.47(19) . . ? C12 C7 C1 124.3(3) . . ? C9 N8 C7 119.5(2) . . ? C9 N8 Co1 125.27(17) . . ? C7 N8 Co1 115.19(16) . . ? N8 C9 C10 122.3(3) . . ? C11 C10 C9 118.5(3) . . ? C10 C11 C12 120.0(3) . . ? C11 C12 C7 119.4(3) . . ? C15 O13 Co1 86.97(11) . . ? C15 O14 Co1 90.67(11) . . ? O13 C15 O14 120.32(17) . . ? O13 C15 C16 120.48(17) . . ? O14 C15 C16 119.19(16) . . ? C17 C16 C21 119.95(17) . . ? C17 C16 C15 120.24(17) . . ? C21 C16 C15 119.76(16) . . ? C18 C17 C16 120.02(18) . . ? C19 C18 C17 119.86(17) . . ? C18 C19 C20 120.60(18) . . ? C18 C19 C22 120.00(16) . . ? C20 C19 C22 119.40(17) . . ? C21 C20 C19 119.22(18) . . ? C20 C21 C16 120.33(17) . . ? O24 C22 O23 119.96(17) . . ? O24 C22 C19 120.51(17) . . ? O23 C22 C19 119.52(16) . . ? O24 C22 Co1 61.49(10) . 4_465 ? O23 C22 Co1 58.47(9) . 4_465 ? C19 C22 Co1 177.47(14) . 4_465 ? C22 O23 Co1 90.54(11) . 4_465 ? C22 O24 Co1 87.68(12) . 4_465 ? 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 Co1 N2 2.0840(18) . ? Co1 O14 2.0893(13) . ? Co1 N8 2.0942(18) . ? Co1 O23 2.1011(13) 4_666 ? Co1 O24 2.1675(15) 4_666 ? Co1 O13 2.1779(14) . ? Co1 C22 2.4647(19) 4_666 ? C1 N2 1.352(3) . ? C1 C6 1.386(3) . ? C1 C7 1.475(4) . ? N2 C3 1.336(3) . ? C3 C4 1.388(4) . ? C4 C5 1.385(5) . ? C5 C6 1.375(5) . ? C7 N8 1.347(3) . ? C7 C12 1.407(4) . ? N8 C9 1.345(3) . ? C9 C10 1.386(4) . ? C10 C11 1.369(5) . ? C11 C12 1.375(5) . ? O13 C15 1.262(2) . ? O14 C15 1.272(2) . ? C15 C16 1.496(2) . ? C16 C17 1.396(3) . ? C16 C21 1.396(3) . ? C17 C18 1.391(3) . ? C18 C19 1.390(3) . ? C19 C20 1.401(3) . ? C19 C22 1.500(3) . ? C20 C21 1.393(3) . ? C22 O24 1.264(2) . ? C22 O23 1.269(2) . ?