#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:15:55 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179621 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/85/4508515.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_4508515
loop_
_publ_author_name
'Nath, Bhaskar'
'Baruah, Jubaraj B.'
_publ_section_title
;
 Polymorphs, Solvates, Polymorphs of Solvate and Cs+--π Interactions of
 Fluorine-Substitutedbis-Phenols
;
_journal_issue                   11
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              5146
_journal_paper_doi               10.1021/cg401220x
_journal_volume                  13
_journal_year                    2013
_chemical_formula_sum            'C46 H45 Cs F2 O4'
_chemical_formula_weight         832.73
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                102.404(5)
_cell_angle_beta                 102.068(6)
_cell_angle_gamma                106.190(7)
_cell_formula_units_Z            2
_cell_length_a                   10.3787(9)
_cell_length_b                   13.5980(9)
_cell_length_c                   15.7691(8)
_cell_measurement_temperature    296(2)
_cell_volume                     1999.7(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0582
_diffrn_reflns_av_sigmaI/netI    0.1250
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13906
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         2.85
_exptl_absorpt_coefficient_mu    0.977
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.90907
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.383
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             852
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.715
_refine_diff_density_min         -0.586
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     498
_refine_ls_number_reflns         7249
_refine_ls_number_restraints     16
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.1215
_refine_ls_R_factor_gt           0.0621
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0010P)²+0.0200P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0652
_refine_ls_wR_factor_ref         0.0844
_reflns_number_gt                4236
_reflns_number_total             7249
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg401220x_si_010.cif
_cod_data_source_block           2f
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1999.7(2)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4508515
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
O1 O 1.1027(5) 0.3460(3) 0.6085(2) 0.0527(12) Uani 1 1 d D
C1 C 1.1215(6) 0.2584(4) 0.5557(3) 0.0424(15) Uani 1 1 d .
Cs1 Cs 0.99973(5) 0.52103(3) 0.25622(2) 0.05842(15) Uani 1 1 d .
F2 F 0.5869(4) 0.4347(3) -0.1588(2) 0.0854(13) Uani 1 1 d .
F1 F 1.2893(4) 0.3846(3) 0.3887(2) 0.0923(13) Uani 1 1 d .
O2 O 0.9134(5) 0.4710(3) 0.4251(3) 0.0394(10) Uani 1 1 d D
O3 O 0.7569(5) 0.3853(3) 0.0840(2) 0.0535(11) Uani 1 1 d D
O4 O 1.0431(4) 0.4589(3) -0.0592(2) 0.0439(10) Uani 1 1 d .
C16 C 0.8743(6) 0.2849(4) 0.4094(3) 0.0291(13) Uani 1 1 d .
C17 C 0.7798(6) 0.1843(4) 0.3960(3) 0.0440(15) Uani 1 1 d .
H17 H 0.8133 0.1275 0.3953 0.053 Uiso 1 1 calc R
C18 C 0.6402(7) 0.1646(5) 0.3838(3) 0.0476(16) Uani 1 1 d .
C19 C 0.5927(6) 0.2506(5) 0.3853(3) 0.0504(17) Uani 1 1 d .
H19 H 0.4975 0.2387 0.3767 0.060 Uiso 1 1 calc R
C20 C 0.6823(6) 0.3547(5) 0.3992(3) 0.0399(15) Uani 1 1 d .
C21 C 0.8241(6) 0.3704(4) 0.4123(3) 0.0341(14) Uani 1 1 d .
C9 C 1.0268(6) 0.3030(4) 0.4135(3) 0.0342(14) Uani 1 1 d .
H9 H 1.0791 0.3773 0.4499 0.041 Uiso 1 1 calc R
C6 C 1.0871(6) 0.2333(4) 0.4622(3) 0.0375(14) Uani 1 1 d .
C5 C 1.1047(6) 0.1407(4) 0.4151(3) 0.0471(16) Uani 1 1 d .
H5 H 1.0820 0.1225 0.3522 0.056 Uiso 1 1 calc R
C4 C 1.1549(7) 0.0750(4) 0.4592(4) 0.0552(17) Uani 1 1 d .
C3 C 1.1883(7) 0.1056(5) 0.5534(4) 0.065(2) Uani 1 1 d .
H3 H 1.2228 0.0629 0.5842 0.078 Uiso 1 1 calc R
C13 C 1.1005(9) 0.2857(5) 0.1521(4) 0.071(2) Uani 1 1 d D
H13 H 1.1176 0.2833 0.0963 0.086 Uiso 1 1 calc RD
C14 C 0.9670(8) 0.2411(4) 0.1554(4) 0.0592(19) Uani 1 1 d D
H14 H 0.8933 0.2082 0.1024 0.071 Uiso 1 1 calc RD
C15 C 0.9433(7) 0.2461(4) 0.2405(3) 0.0465(16) Uani 1 1 d .
H15 H 0.8524 0.2161 0.2430 0.056 Uiso 1 1 calc R
C10 C 1.0495(6) 0.2935(4) 0.3202(3) 0.0361(14) Uani 1 1 d .
C11 C 1.1806(7) 0.3359(5) 0.3117(4) 0.0541(17) Uani 1 1 d .
C29 C 0.6447(6) 0.2620(4) -0.0671(3) 0.0385(14) Uani 1 1 d .
C28 C 0.5340(6) 0.1700(4) -0.1209(4) 0.0503(17) Uani 1 1 d .
H28 H 0.5240 0.1479 -0.1827 0.060 Uiso 1 1 calc R
C27 C 0.4386(7) 0.1104(5) -0.0865(4) 0.0558(18) Uani 1 1 d .
C26 C 0.4494(7) 0.1479(5) 0.0039(4) 0.0591(18) Uani 1 1 d .
H26 H 0.3847 0.1092 0.0278 0.071 Uiso 1 1 calc R
C25 C 0.5532(7) 0.2413(5) 0.0606(4) 0.0499(17) Uani 1 1 d .
C24 C 0.6522(6) 0.2969(4) 0.0246(3) 0.0404(15) Uani 1 1 d .
C37 C 0.6659(8) 0.2484(5) -0.3659(4) 0.075(2) Uani 1 1 d .
H37 H 0.6837 0.2055 -0.4133 0.090 Uiso 1 1 calc R
C36 C 0.5844(8) 0.3086(5) -0.3843(4) 0.077(2) Uani 1 1 d .
H36 H 0.5473 0.3072 -0.4437 0.092 Uiso 1 1 calc R
C35 C 0.5577(7) 0.3718(5) -0.3138(4) 0.075(2) Uani 1 1 d .
H35 H 0.5023 0.4136 -0.3246 0.090 Uiso 1 1 calc R
C34 C 0.6151(7) 0.3713(5) -0.2269(4) 0.0575(19) Uani 1 1 d .
C33 C 0.6968(6) 0.3125(4) -0.2045(3) 0.0379(14) Uani 1 1 d .
C38 C 0.7224(6) 0.2501(4) -0.2780(3) 0.0536(17) Uani 1 1 d .
H38 H 0.7787 0.2089 -0.2673 0.064 Uiso 1 1 calc R
C32 C 0.7568(6) 0.3194(4) -0.1055(3) 0.0368(14) Uani 1 1 d .
H32 H 0.7917 0.3953 -0.0709 0.044 Uiso 1 1 calc R
C30 C 0.5611(7) 0.2845(5) 0.1585(3) 0.079(2) Uani 1 1 d .
H30A H 0.4857 0.2378 0.1726 0.119 Uiso 1 1 calc R
H30B H 0.5536 0.3546 0.1688 0.119 Uiso 1 1 calc R
H30C H 0.6489 0.2886 0.1964 0.119 Uiso 1 1 calc R
C12 C 1.2096(8) 0.3339(5) 0.2301(4) 0.074(2) Uani 1 1 d D
H12 H 1.3005 0.3645 0.2280 0.088 Uiso 1 1 calc RD
C2 C 1.1729(7) 0.1959(5) 0.6035(4) 0.0568(18) Uani 1 1 d .
C44 C 1.0167(6) 0.3510(5) -0.0742(3) 0.0390(15) Uani 1 1 d .
C39 C 0.8816(6) 0.2796(4) -0.0929(3) 0.0363(14) Uani 1 1 d .
C40 C 0.8587(7) 0.1703(4) -0.1076(3) 0.0513(17) Uani 1 1 d .
H40 H 0.7684 0.1237 -0.1185 0.062 Uiso 1 1 calc R
C41 C 0.9666(8) 0.1297(5) -0.1066(4) 0.0529(18) Uani 1 1 d .
C42 C 1.0985(8) 0.1998(5) -0.0899(3) 0.0591(19) Uani 1 1 d .
H42 H 1.1718 0.1730 -0.0892 0.071 Uiso 1 1 calc R
C43 C 1.1278(7) 0.3096(5) -0.0737(3) 0.0442(16) Uani 1 1 d .
C46 C 1.2758(7) 0.3826(5) -0.0530(4) 0.072(2) Uani 1 1 d .
H46A H 1.3370 0.3411 -0.0535 0.108 Uiso 1 1 calc R
H46B H 1.3027 0.4333 0.0058 0.108 Uiso 1 1 calc R
H46C H 1.2825 0.4200 -0.0979 0.108 Uiso 1 1 calc R
C23 C 0.6264(6) 0.4460(4) 0.3996(4) 0.069(2) Uani 1 1 d .
H23A H 0.6667 0.4983 0.4581 0.103 Uiso 1 1 calc R
H23B H 0.5264 0.4193 0.3870 0.103 Uiso 1 1 calc R
H23C H 0.6507 0.4783 0.3541 0.103 Uiso 1 1 calc R
C22 C 0.5386(7) 0.0537(4) 0.3695(4) 0.080(2) Uani 1 1 d .
H22A H 0.5741 0.0007 0.3420 0.120 Uiso 1 1 calc R
H22B H 0.4493 0.0450 0.3305 0.120 Uiso 1 1 calc R
H22C H 0.5283 0.0451 0.4268 0.120 Uiso 1 1 calc R
C45 C 0.9378(7) 0.0096(4) -0.1248(4) 0.086(2) Uani 1 1 d .
H45A H 0.9661 -0.0165 -0.1770 0.130 Uiso 1 1 calc R
H45B H 0.8396 -0.0266 -0.1358 0.130 Uiso 1 1 calc R
H45C H 0.9897 -0.0037 -0.0731 0.130 Uiso 1 1 calc R
C8 C 1.1697(7) -0.0260(4) 0.4067(4) 0.084(2) Uani 1 1 d .
H8A H 1.1415 -0.0333 0.3430 0.126 Uiso 1 1 calc R
H8B H 1.1115 -0.0866 0.4189 0.126 Uiso 1 1 calc R
H8C H 1.2656 -0.0223 0.4247 0.126 Uiso 1 1 calc R
C31 C 0.3260(7) 0.0058(4) -0.1458(4) 0.085(2) Uani 1 1 d .
H31A H 0.2727 0.0179 -0.1976 0.128 Uiso 1 1 calc R
H31B H 0.2651 -0.0212 -0.1117 0.128 Uiso 1 1 calc R
H31C H 0.3692 -0.0454 -0.1656 0.128 Uiso 1 1 calc R
C7 C 1.2116(7) 0.2251(5) 0.7050(3) 0.086(2) Uani 1 1 d .
H7A H 1.2698 0.2989 0.7301 0.128 Uiso 1 1 calc R
H7B H 1.2616 0.1810 0.7257 0.128 Uiso 1 1 calc R
H7C H 1.1281 0.2139 0.7242 0.128 Uiso 1 1 calc R
H1M H 1.119(7) 0.403(3) 0.593(4) 0.09(3) Uiso 1 1 d D
H3M H 0.806(5) 0.434(3) 0.064(3) 0.07(2) Uiso 1 1 d D
H2M H 0.984(6) 0.500(9) 0.464(5) 0.20(5) Uiso 1 1 d D
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'
Cs Cs -0.3680 2.1192 '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'
O O 0.0106 0.0060 '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
C1 O1 Cs1 160.7(3) . 2_766
C1 O1 H1M 118(4) . .
Cs1 O1 H1M 80(4) 2_766 .
C6 C1 O1 122.3(5) . .
C6 C1 C2 122.7(5) . .
O1 C1 C2 115.0(5) . .
O1 Cs1 O3 110.55(12) 2_766 .
O1 Cs1 O4 119.97(10) 2_766 2_765
O3 Cs1 O4 51.15(10) . 2_765
O1 Cs1 O2 51.68(11) 2_766 .
O3 Cs1 O2 108.74(11) . .
O4 Cs1 O2 157.20(10) 2_765 .
O1 Cs1 C38 90.04(12) 2_766 2_765
O3 Cs1 C38 127.04(11) . 2_765
O4 Cs1 C38 76.09(11) 2_765 2_765
O2 Cs1 C38 121.58(11) . 2_765
O1 Cs1 C15 120.15(11) 2_766 .
O3 Cs1 C15 72.11(12) . .
O4 Cs1 C15 107.19(10) 2_765 .
O2 Cs1 C15 70.37(11) . .
C38 Cs1 C15 137.97(14) 2_765 .
O1 Cs1 C10 112.27(11) 2_766 .
O3 Cs1 C10 94.24(12) . .
O4 Cs1 C10 124.32(10) 2_765 .
O2 Cs1 C10 60.83(11) . .
C38 Cs1 C10 123.05(14) 2_765 .
C15 Cs1 C10 22.14(11) . .
O1 Cs1 C44 102.59(11) 2_766 2_765
O3 Cs1 C44 67.00(12) . 2_765
O4 Cs1 C44 21.55(8) 2_765 2_765
O2 Cs1 C44 152.14(12) . 2_765
C38 Cs1 C44 60.94(13) 2_765 2_765
C15 Cs1 C44 128.73(11) . 2_765
C10 Cs1 C44 144.60(11) . 2_765
O1 Cs1 C11 123.56(12) 2_766 .
O3 Cs1 C11 104.59(13) . .
O4 Cs1 C11 116.47(11) 2_765 .
O2 Cs1 C11 76.05(12) . .
C38 Cs1 C11 102.51(14) 2_765 .
C15 Cs1 C11 37.38(14) . .
C10 Cs1 C11 21.68(12) . .
C44 Cs1 C11 131.76(13) 2_765 .
O1 Cs1 C14 140.75(13) 2_766 .
O3 Cs1 C14 61.27(13) . .
O4 Cs1 C14 86.07(10) 2_765 .
O2 Cs1 C14 92.58(12) . .
C38 Cs1 C14 126.60(14) 2_765 .
C15 Cs1 C14 22.27(10) . .
C10 Cs1 C14 39.08(11) . .
C44 Cs1 C14 107.39(12) 2_765 .
C11 Cs1 C14 43.39(14) . .
O1 Cs1 C33 112.01(11) 2_766 2_765
O3 Cs1 C33 112.39(11) . 2_765
O4 Cs1 C33 62.52(10) 2_765 2_765
O2 Cs1 C33 138.86(11) . 2_765
C38 Cs1 C33 22.30(9) 2_765 2_765
C15 Cs1 C33 121.80(13) . 2_765
C10 Cs1 C33 114.18(13) . 2_765
C44 Cs1 C33 54.27(13) 2_765 2_765
C11 Cs1 C33 92.52(13) . 2_765
C14 Cs1 C33 105.96(13) . 2_765
O1 Cs1 C37 82.05(13) 2_766 2_765
O3 Cs1 C37 148.64(12) . 2_765
O4 Cs1 C37 97.53(11) 2_765 2_765
O2 Cs1 C37 101.56(12) . 2_765
C38 Cs1 C37 21.69(11) 2_765 2_765
C15 Cs1 C37 127.49(15) . 2_765
C10 Cs1 C37 107.67(14) . 2_765
C44 Cs1 C37 82.46(13) 2_765 2_765
C11 Cs1 C37 90.15(15) . 2_765
C14 Cs1 C37 126.13(16) . 2_765
C33 Cs1 C37 38.16(11) 2_765 2_765
O1 Cs1 H3M 114.6(10) 2_766 .
O3 Cs1 H3M 16.4(4) . .
O4 Cs1 H3M 34.8(4) 2_765 .
O2 Cs1 H3M 124.3(5) . .
C38 Cs1 H3M 110.6(4) 2_765 .
C15 Cs1 H3M 84.2(7) . .
C10 Cs1 H3M 106.0(8) . .
C44 Cs1 H3M 51.0(5) 2_765 .
C11 Cs1 H3M 111.6(10) . .
C14 Cs1 H3M 69.1(9) . .
C33 Cs1 H3M 96.7(5) 2_765 .
C37 Cs1 H3M 132.2(4) 2_765 .
O1 Cs1 H2M 52(2) 2_766 .
O3 Cs1 H2M 121.6(8) . .
O4 Cs1 H2M 169.2(14) 2_765 .
O2 Cs1 H2M 13.1(7) . .
C38 Cs1 H2M 109.8(11) 2_765 .
C15 Cs1 H2M 75(2) . .
C10 Cs1 H2M 61(2) . .
C44 Cs1 H2M 155(2) 2_765 .
C11 Cs1 H2M 72(2) . .
C14 Cs1 H2M 97(2) . .
C33 Cs1 H2M 125.9(8) 2_765 .
C37 Cs1 H2M 89.1(10) 2_765 .
H3M Cs1 H2M 137.4(9) . .
C21 O2 Cs1 116.9(3) . .
C21 O2 H2M 125(9) . .
Cs1 O2 H2M 102(7) . .
C24 O3 Cs1 158.3(3) . .
C24 O3 H3M 121(4) . .
Cs1 O3 H3M 78(4) . .
C44 O4 Cs1 101.7(2) . 2_765
C17 C16 C21 118.3(5) . .
C17 C16 C9 122.1(5) . .
C21 C16 C9 119.3(5) . .
C18 C17 C16 123.1(6) . .
C18 C17 H17 118.5 . .
C16 C17 H17 118.5 . .
C17 C18 C19 117.4(5) . .
C17 C18 C22 122.2(6) . .
C19 C18 C22 120.4(6) . .
C18 C19 C20 122.6(6) . .
C18 C19 H19 118.7 . .
C20 C19 H19 118.7 . .
C21 C20 C19 117.5(5) . .
C21 C20 C23 121.5(5) . .
C19 C20 C23 121.0(6) . .
O2 C21 C20 118.6(5) . .
O2 C21 C16 120.4(5) . .
C20 C21 C16 121.0(5) . .
C16 C9 C10 111.6(4) . .
C16 C9 C6 112.7(4) . .
C10 C9 C6 112.8(4) . .
C16 C9 H9 106.4 . .
C10 C9 H9 106.4 . .
C6 C9 H9 106.4 . .
C1 C6 C5 117.8(5) . .
C1 C6 C9 120.2(5) . .
C5 C6 C9 122.0(4) . .
C4 C5 C6 122.1(5) . .
C4 C5 H5 119.0 . .
C6 C5 H5 119.0 . .
C5 C4 C3 117.0(5) . .
C5 C4 C8 121.1(6) . .
C3 C4 C8 121.8(6) . .
C2 C3 C4 123.5(6) . .
C2 C3 H3 118.3 . .
C4 C3 H3 118.3 . .
C14 C13 C12 120.9(6) . .
C14 C13 Cs1 75.2(4) . .
C12 C13 Cs1 79.8(4) . .
C14 C13 H13 119.6 . .
C12 C13 H13 119.6 . .
Cs1 C13 H13 115.9 . .
C13 C14 C15 118.6(6) . .
C13 C14 Cs1 83.8(4) . .
C15 C14 Cs1 74.0(3) . .
C13 C14 H14 120.7 . .
C15 C14 H14 120.7 . .
Cs1 C14 H14 112.1 . .
C10 C15 C14 122.4(6) . .
C10 C15 Cs1 79.9(3) . .
C14 C15 Cs1 83.7(3) . .
C10 C15 H15 118.8 . .
C14 C15 H15 118.8 . .
Cs1 C15 H15 107.2 . .
C11 C10 C15 115.8(5) . .
C11 C10 C9 120.5(5) . .
C15 C10 C9 123.7(5) . .
C11 C10 Cs1 82.9(3) . .
C15 C10 Cs1 78.0(3) . .
C9 C10 Cs1 106.8(3) . .
F1 C11 C10 118.1(5) . .
F1 C11 C12 117.7(6) . .
C10 C11 C12 124.2(6) . .
F1 C11 Cs1 111.2(4) . .
C10 C11 Cs1 75.5(3) . .
C12 C11 Cs1 84.2(4) . .
C28 C29 C24 117.3(5) . .
C28 C29 C32 121.3(4) . .
C24 C29 C32 121.3(5) . .
C27 C28 C29 122.8(5) . .
C27 C28 H28 118.6 . .
C29 C28 H28 118.6 . .
C26 C27 C28 117.9(6) . .
C26 C27 C31 120.8(6) . .
C28 C27 C31 121.3(5) . .
C27 C26 C25 122.4(6) . .
C27 C26 H26 118.8 . .
C25 C26 H26 118.8 . .
C26 C25 C24 118.3(5) . .
C26 C25 C30 122.2(5) . .
C24 C25 C30 119.5(5) . .
O3 C24 C25 116.2(5) . .
O3 C24 C29 122.6(5) . .
C25 C24 C29 121.2(5) . .
C36 C37 C38 121.0(6) . .
C36 C37 Cs1 95.8(4) . 2_765
C38 C37 Cs1 69.5(4) . 2_765
C36 C37 H37 119.5 . .
C38 C37 H37 119.5 . .
Cs1 C37 H37 104.7 2_765 .
C37 C36 C35 119.3(6) . .
C37 C36 H36 120.3 . .
C35 C36 H36 120.3 . .
C34 C35 C36 118.2(6) . .
C34 C35 H35 120.9 . .
C36 C35 H35 120.9 . .
C33 C34 F2 118.2(5) . .
C33 C34 C35 125.0(5) . .
F2 C34 C35 116.7(6) . .
C34 C33 C38 114.9(5) . .
C34 C33 C32 120.6(5) . .
C38 C33 C32 124.5(5) . .
C34 C33 Cs1 93.9(4) . 2_765
C38 C33 Cs1 71.2(3) . 2_765
C32 C33 Cs1 102.7(3) . 2_765
C37 C38 C33 121.4(6) . .
C37 C38 Cs1 88.9(4) . 2_765
C33 C38 Cs1 86.5(3) . 2_765
C37 C38 H38 119.3 . .
C33 C38 H38 119.3 . .
Cs1 C38 H38 94.8 2_765 .
C29 C32 C33 111.8(5) . .
C29 C32 C39 111.9(4) . .
C33 C32 C39 111.5(4) . .
C29 C32 H32 107.1 . .
C33 C32 H32 107.1 . .
C39 C32 H32 107.1 . .
C25 C30 H30A 109.5 . .
C25 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C25 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C13 C12 C11 118.1(7) . .
C13 C12 Cs1 79.3(4) . .
C11 C12 Cs1 74.6(4) . .
C13 C12 H12 120.9 . .
C11 C12 H12 120.9 . .
Cs1 C12 H12 116.0 . .
C3 C2 C1 117.0(5) . .
C3 C2 C7 121.0(6) . .
C1 C2 C7 122.0(5) . .
O4 C44 C39 121.5(5) . .
O4 C44 C43 119.9(6) . .
C39 C44 C43 118.5(5) . .
O4 C44 Cs1 56.8(2) . 2_765
C39 C44 Cs1 104.9(3) . 2_765
C43 C44 Cs1 106.1(3) . 2_765
C44 C39 C40 120.0(6) . .
C44 C39 C32 120.0(5) . .
C40 C39 C32 119.8(6) . .
C41 C40 C39 121.7(6) . .
C41 C40 H40 119.1 . .
C39 C40 H40 119.1 . .
C42 C41 C40 118.1(6) . .
C42 C41 C45 121.5(6) . .
C40 C41 C45 120.5(7) . .
C41 C42 C43 122.8(6) . .
C41 C42 H42 118.6 . .
C43 C42 H42 118.6 . .
C42 C43 C44 118.9(6) . .
C42 C43 C46 120.0(6) . .
C44 C43 C46 121.0(6) . .
C43 C46 H46A 109.5 . .
C43 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C43 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C20 C23 H23A 109.5 . .
C20 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C20 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C18 C22 H22A 109.5 . .
C18 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C18 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C41 C45 H45A 109.5 . .
C41 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
C41 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
C4 C8 H8A 109.5 . .
C4 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C4 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C27 C31 H31A 109.5 . .
C27 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C27 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C2 C7 H7A 109.5 . .
C2 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C2 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O1 C1 1.386(6) .
O1 Cs1 3.052(4) 2_766
O1 H1M 0.850(15) .
C1 C6 1.382(6) .
C1 C2 1.391(7) .
Cs1 O1 3.052(4) 2_766
Cs1 O3 3.086(4) .
Cs1 O4 3.127(3) 2_765
Cs1 O2 3.129(4) .
Cs1 C38 3.499(6) 2_765
Cs1 C15 3.565(5) .
Cs1 C10 3.588(5) .
Cs1 C44 3.661(5) 2_765
Cs1 C11 3.678(6) .
Cs1 C14 3.686(5) .
Cs1 C33 3.688(5) 2_765
Cs1 C37 3.736(7) 2_765
Cs1 H3M 3.03(5) .
Cs1 H2M 3.38(9) .
F2 C34 1.363(5) .
F1 C11 1.360(6) .
O2 C21 1.366(6) .
O2 H2M 0.782(7) .
O3 C24 1.366(6) .
O3 H3M 0.88(2) .
O4 C44 1.373(6) .
O4 Cs1 3.127(3) 2_765
C16 C17 1.385(6) .
C16 C21 1.397(6) .
C16 C9 1.517(7) .
C17 C18 1.361(8) .
C17 H17 0.9300 .
C18 C19 1.388(7) .
C18 C22 1.518(7) .
C19 C20 1.402(7) .
C19 H19 0.9300 .
C20 C21 1.390(7) .
C20 C23 1.508(6) .
C9 C10 1.522(6) .
C9 C6 1.524(6) .
C9 H9 0.9800 .
C6 C5 1.399(6) .
C5 C4 1.388(7) .
C5 H5 0.9300 .
C4 C3 1.393(7) .
C4 C8 1.510(6) .
C3 C2 1.379(7) .
C3 H3 0.9300 .
C13 C14 1.365(8) .
C13 C12 1.372(8) .
C13 H13 0.9300 .
C14 C15 1.406(6) .
C14 H14 0.9300 .
C15 C10 1.373(7) .
C15 H15 0.9300 .
C10 C11 1.369(7) .
C11 C12 1.377(7) .
C29 C28 1.393(7) .
C29 C24 1.399(6) .
C29 C32 1.523(7) .
C28 C27 1.377(7) .
C28 H28 0.9300 .
C27 C26 1.376(6) .
C27 C31 1.520(7) .
C26 C25 1.385(7) .
C26 H26 0.9300 .
C25 C24 1.395(7) .
C25 C30 1.505(6) .
C37 C36 1.362(8) .
C37 C38 1.381(7) .
C37 Cs1 3.736(7) 2_765
C37 H37 0.9300 .
C36 C35 1.379(7) .
C36 H36 0.9300 .
C35 C34 1.378(7) .
C35 H35 0.9300 .
C34 C33 1.363(7) .
C33 C38 1.402(6) .
C33 C32 1.526(6) .
C33 Cs1 3.688(5) 2_765
C38 Cs1 3.499(6) 2_765
C38 H38 0.9300 .
C32 C39 1.529(7) .
C32 H32 0.9800 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C12 H12 0.9300 .
C2 C7 1.500(6) .
C44 C39 1.394(7) .
C44 C43 1.415(7) .
C44 Cs1 3.661(5) 2_765
C39 C40 1.398(6) .
C40 C41 1.378(8) .
C40 H40 0.9300 .
C41 C42 1.366(8) .
C41 C45 1.526(7) .
C42 C43 1.393(7) .
C42 H42 0.9300 .
C43 C46 1.501(7) .
C46 H46A 0.9600 .
C46 H46B 0.9600 .
C46 H46C 0.9600 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C45 H45A 0.9600 .
C45 H45B 0.9600 .
C45 H45C 0.9600 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C31 H31A 0.9600 .
C31 H31B 0.9600 .
C31 H31C 0.9600 .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
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_4
Cs1 O1 C1 C6 121.3(9) 2_766 .
Cs1 O1 C1 C2 -56.6(13) 2_766 .
O1 Cs1 O2 C21 132.1(4) 2_766 .
O3 Cs1 O2 C21 30.3(4) . .
O4 Cs1 O2 C21 55.8(5) 2_765 .
C38 Cs1 O2 C21 -166.9(4) 2_765 .
C15 Cs1 O2 C21 -32.0(4) . .
C10 Cs1 O2 C21 -54.0(4) . .
C44 Cs1 O2 C21 106.3(4) 2_765 .
C11 Cs1 O2 C21 -70.6(4) . .
C14 Cs1 O2 C21 -30.2(4) . .
C33 Cs1 O2 C21 -148.2(4) 2_765 .
C37 Cs1 O2 C21 -157.9(4) 2_765 .
O1 Cs1 O3 C24 -101.1(9) 2_766 .
O4 Cs1 O3 C24 146.4(10) 2_765 .
O2 Cs1 O3 C24 -46.0(10) . .
C38 Cs1 O3 C24 152.4(9) 2_765 .
C15 Cs1 O3 C24 15.2(9) . .
C10 Cs1 O3 C24 14.6(9) . .
C44 Cs1 O3 C24 163.5(10) 2_765 .
C11 Cs1 O3 C24 34.0(10) . .
C14 Cs1 O3 C24 36.4(9) . .
C33 Cs1 O3 C24 133.0(9) 2_765 .
C37 Cs1 O3 C24 149.6(9) 2_765 .
C21 C16 C17 C18 1.3(8) . .
C9 C16 C17 C18 -173.8(5) . .
C16 C17 C18 C19 -0.1(8) . .
C16 C17 C18 C22 -179.9(5) . .
C17 C18 C19 C20 -0.4(8) . .
C22 C18 C19 C20 179.4(5) . .
C18 C19 C20 C21 -0.3(8) . .
C18 C19 C20 C23 179.5(5) . .
Cs1 O2 C21 C20 -98.6(4) . .
Cs1 O2 C21 C16 79.2(5) . .
C19 C20 C21 O2 179.4(4) . .
C23 C20 C21 O2 -0.5(7) . .
C19 C20 C21 C16 1.6(7) . .
C23 C20 C21 C16 -178.3(4) . .
C17 C16 C21 O2 -179.8(4) . .
C9 C16 C21 O2 -4.6(7) . .
C17 C16 C21 C20 -2.0(7) . .
C9 C16 C21 C20 173.2(4) . .
C17 C16 C9 C10 90.2(6) . .
C21 C16 C9 C10 -84.8(5) . .
C17 C16 C9 C6 -37.9(6) . .
C21 C16 C9 C6 147.0(4) . .
O1 C1 C6 C5 -177.4(5) . .
C2 C1 C6 C5 0.4(9) . .
O1 C1 C6 C9 0.2(8) . .
C2 C1 C6 C9 178.0(5) . .
C16 C9 C6 C1 -75.7(6) . .
C10 C9 C6 C1 156.8(5) . .
C16 C9 C6 C5 101.9(6) . .
C10 C9 C6 C5 -25.6(7) . .
C1 C6 C5 C4 -0.1(8) . .
C9 C6 C5 C4 -177.6(5) . .
C6 C5 C4 C3 -0.4(9) . .
C6 C5 C4 C8 178.5(6) . .
C5 C4 C3 C2 0.5(10) . .
C8 C4 C3 C2 -178.4(6) . .
O1 Cs1 C13 C14 55.1(6) 2_766 .
O3 Cs1 C13 C14 -49.7(4) . .
O4 Cs1 C13 C14 -101.6(4) 2_765 .
O2 Cs1 C13 C14 56.0(4) . .
C38 Cs1 C13 C14 -174.4(4) 2_765 .
C15 Cs1 C13 C14 31.7(3) . .
C10 Cs1 C13 C14 64.1(4) . .
C44 Cs1 C13 C14 -111.9(4) 2_765 .
C11 Cs1 C13 C14 95.6(4) . .
C33 Cs1 C13 C14 -164.4(4) 2_765 .
C37 Cs1 C13 C14 163.0(4) 2_765 .
O1 Cs1 C13 C12 -70.8(6) 2_766 .
O3 Cs1 C13 C12 -175.6(4) . .
O4 Cs1 C13 C12 132.5(4) 2_765 .
O2 Cs1 C13 C12 -69.9(4) . .
C38 Cs1 C13 C12 59.7(4) 2_765 .
C15 Cs1 C13 C12 -94.2(4) . .
C10 Cs1 C13 C12 -61.8(4) . .
C44 Cs1 C13 C12 122.2(4) 2_765 .
C11 Cs1 C13 C12 -30.3(3) . .
C14 Cs1 C13 C12 -125.9(6) . .
C33 Cs1 C13 C12 69.7(4) 2_765 .
C37 Cs1 C13 C12 37.1(4) 2_765 .
C12 C13 C14 C15 0.3(10) . .
Cs1 C13 C14 C15 -68.0(5) . .
C12 C13 C14 Cs1 68.3(6) . .
O1 Cs1 C14 C13 -148.9(4) 2_766 .
O3 Cs1 C14 C13 123.3(4) . .
O4 Cs1 C14 C13 76.1(4) 2_765 .
O2 Cs1 C14 C13 -126.7(4) . .
C38 Cs1 C14 C13 6.7(5) 2_765 .
C15 Cs1 C14 C13 -122.2(6) . .
C10 Cs1 C14 C13 -92.7(4) . .
C44 Cs1 C14 C13 73.0(4) 2_765 .
C11 Cs1 C14 C13 -60.2(4) . .
C33 Cs1 C14 C13 16.2(4) 2_765 .
C37 Cs1 C14 C13 -20.3(5) 2_765 .
O1 Cs1 C14 C15 -26.7(5) 2_766 .
O3 Cs1 C14 C15 -114.5(4) . .
O4 Cs1 C14 C15 -161.7(4) 2_765 .
O2 Cs1 C14 C15 -4.5(4) . .
C38 Cs1 C14 C15 128.9(4) 2_765 .
C10 Cs1 C14 C15 29.5(3) . .
C44 Cs1 C14 C15 -164.8(4) 2_765 .
C11 Cs1 C14 C15 62.0(4) . .
C33 Cs1 C14 C15 138.4(4) 2_765 .
C37 Cs1 C14 C15 101.9(4) 2_765 .
C13 C14 C15 C10 -0.4(8) . .
Cs1 C14 C15 C10 -73.8(5) . .
C13 C14 C15 Cs1 73.4(5) . .
O1 Cs1 C15 C10 -74.7(4) 2_766 .
O3 Cs1 C15 C10 -178.5(4) . .
O4 Cs1 C15 C10 143.7(3) 2_765 .
O2 Cs1 C15 C10 -60.2(3) . .
C38 Cs1 C15 C10 55.6(4) 2_765 .
C44 Cs1 C15 C10 143.3(3) 2_765 .
C11 Cs1 C15 C10 32.4(3) . .
C14 Cs1 C15 C10 124.5(6) . .
C33 Cs1 C15 C10 75.8(3) 2_765 .
C37 Cs1 C15 C10 29.5(4) 2_765 .
O1 Cs1 C15 C14 160.8(4) 2_766 .
O3 Cs1 C15 C14 57.0(4) . .
O4 Cs1 C15 C14 19.2(4) 2_765 .
O2 Cs1 C15 C14 175.3(4) . .
C38 Cs1 C15 C14 -69.0(4) 2_765 .
C10 Cs1 C15 C14 -124.5(6) . .
C44 Cs1 C15 C14 18.7(5) 2_765 .
C11 Cs1 C15 C14 -92.1(4) . .
C33 Cs1 C15 C14 -48.7(4) 2_765 .
C37 Cs1 C15 C14 -95.0(4) 2_765 .
C14 C15 C10 C11 0.0(8) . .
Cs1 C15 C10 C11 -75.9(5) . .
C14 C15 C10 C9 178.2(4) . .
Cs1 C15 C10 C9 102.4(5) . .
C14 C15 C10 Cs1 75.8(5) . .
C16 C9 C10 C11 161.3(5) . .
C6 C9 C10 C11 -70.6(6) . .
C16 C9 C10 C15 -16.8(7) . .
C6 C9 C10 C15 111.2(6) . .
C16 C9 C10 Cs1 69.7(4) . .
C6 C9 C10 Cs1 -162.2(3) . .
O1 Cs1 C10 C11 -125.9(3) 2_766 .
O3 Cs1 C10 C11 119.8(3) . .
O4 Cs1 C10 C11 75.1(4) 2_765 .
O2 Cs1 C10 C11 -131.1(4) . .
C38 Cs1 C10 C11 -20.4(4) 2_765 .
C15 Cs1 C10 C11 118.4(5) . .
C44 Cs1 C10 C11 64.7(4) 2_765 .
C14 Cs1 C10 C11 88.7(4) . .
C33 Cs1 C10 C11 3.0(4) 2_765 .
C37 Cs1 C10 C11 -37.4(4) 2_765 .
O1 Cs1 C10 C15 115.7(3) 2_766 .
O3 Cs1 C10 C15 1.5(3) . .
O4 Cs1 C10 C15 -43.2(4) 2_765 .
O2 Cs1 C10 C15 110.6(4) . .
C38 Cs1 C10 C15 -138.8(3) 2_765 .
C44 Cs1 C10 C15 -53.7(4) 2_765 .
C11 Cs1 C10 C15 -118.4(5) . .
C14 Cs1 C10 C15 -29.7(3) . .
C33 Cs1 C10 C15 -115.4(3) 2_765 .
C37 Cs1 C10 C15 -155.8(3) 2_765 .
O1 Cs1 C10 C9 -6.1(4) 2_766 .
O3 Cs1 C10 C9 -120.4(3) . .
O4 Cs1 C10 C9 -165.1(3) 2_765 .
O2 Cs1 C10 C9 -11.3(3) . .
C38 Cs1 C10 C9 99.4(3) 2_765 .
C15 Cs1 C10 C9 -121.8(5) . .
C44 Cs1 C10 C9 -175.5(3) 2_765 .
C11 Cs1 C10 C9 119.8(5) . .
C14 Cs1 C10 C9 -151.5(5) . .
C33 Cs1 C10 C9 122.7(3) 2_765 .
C37 Cs1 C10 C9 82.3(3) 2_765 .
C15 C10 C11 F1 179.4(5) . .
C9 C10 C11 F1 1.1(8) . .
Cs1 C10 C11 F1 106.5(5) . .
C15 C10 C11 C12 0.5(9) . .
C9 C10 C11 C12 -177.8(5) . .
Cs1 C10 C11 C12 -72.4(6) . .
C15 C10 C11 Cs1 72.9(4) . .
C9 C10 C11 Cs1 -105.4(4) . .
O1 Cs1 C11 F1 -50.9(4) 2_766 .
O3 Cs1 C11 F1 -178.3(3) . .
O4 Cs1 C11 F1 128.2(3) 2_765 .
O2 Cs1 C11 F1 -72.2(4) . .
C38 Cs1 C11 F1 47.6(4) 2_765 .
C15 Cs1 C11 F1 -148.0(5) . .
C10 Cs1 C11 F1 -114.9(5) . .
C44 Cs1 C11 F1 109.7(3) 2_765 .
C14 Cs1 C11 F1 178.5(5) . .
C33 Cs1 C11 F1 67.8(4) 2_765 .
C37 Cs1 C11 F1 29.7(4) 2_765 .
O1 Cs1 C11 C10 64.0(4) 2_766 .
O3 Cs1 C11 C10 -63.4(3) . .
O4 Cs1 C11 C10 -116.9(3) 2_765 .
O2 Cs1 C11 C10 42.7(3) . .
C38 Cs1 C11 C10 162.6(3) 2_765 .
C15 Cs1 C11 C10 -33.1(3) . .
C44 Cs1 C11 C10 -135.4(3) 2_765 .
C14 Cs1 C11 C10 -66.6(3) . .
C33 Cs1 C11 C10 -177.3(3) 2_765 .
C37 Cs1 C11 C10 144.6(3) 2_765 .
O1 Cs1 C11 C12 -168.3(4) 2_766 .
O3 Cs1 C11 C12 64.2(4) . .
O4 Cs1 C11 C12 10.7(4) 2_765 .
O2 Cs1 C11 C12 170.3(4) . .
C38 Cs1 C11 C12 -69.8(4) 2_765 .
C15 Cs1 C11 C12 94.5(4) . .
C10 Cs1 C11 C12 127.6(6) . .
C44 Cs1 C11 C12 -7.8(5) 2_765 .
C14 Cs1 C11 C12 61.0(4) . .
C33 Cs1 C11 C12 -49.7(4) 2_765 .
C37 Cs1 C11 C12 -87.8(4) 2_765 .
C24 C29 C28 C27 -3.7(9) . .
C32 C29 C28 C27 173.6(6) . .
C29 C28 C27 C26 4.1(10) . .
C29 C28 C27 C31 -175.1(5) . .
C28 C27 C26 C25 -1.1(10) . .
C31 C27 C26 C25 178.1(6) . .
C27 C26 C25 C24 -2.0(9) . .
C27 C26 C25 C30 177.3(6) . .
Cs1 O3 C24 C25 52.0(12) . .
Cs1 O3 C24 C29 -126.9(8) . .
C26 C25 C24 O3 -176.6(5) . .
C30 C25 C24 O3 4.1(8) . .
C26 C25 C24 C29 2.3(9) . .
C30 C25 C24 C29 -177.0(5) . .
C28 C29 C24 O3 179.2(5) . .
C32 C29 C24 O3 1.9(8) . .
C28 C29 C24 C25 0.4(8) . .
C32 C29 C24 C25 -176.9(5) . .
C38 C37 C36 C35 -0.3(11) . .
Cs1 C37 C36 C35 -69.8(7) 2_765 .
C37 C36 C35 C34 0.0(11) . .
C36 C35 C34 C33 -0.2(11) . .
C36 C35 C34 F2 179.8(6) . .
F2 C34 C33 C38 -179.4(5) . .
C35 C34 C33 C38 0.7(10) . .
F2 C34 C33 C32 -1.0(9) . .
C35 C34 C33 C32 179.1(6) . .
F2 C34 C33 Cs1 -108.2(5) . 2_765
C35 C34 C33 Cs1 71.8(7) . 2_765
C36 C37 C38 C33 0.9(10) . .
Cs1 C37 C38 C33 85.1(5) 2_765 .
C36 C37 C38 Cs1 -84.3(7) . 2_765
C34 C33 C38 C37 -1.0(9) . .
C32 C33 C38 C37 -179.3(5) . .
Cs1 C33 C38 C37 -86.5(6) 2_765 .
C34 C33 C38 Cs1 85.5(5) . 2_765
C32 C33 C38 Cs1 -92.8(5) . 2_765
C28 C29 C32 C33 33.9(7) . .
C24 C29 C32 C33 -148.9(5) . .
C28 C29 C32 C39 -91.9(6) . .
C24 C29 C32 C39 85.3(6) . .
C34 C33 C32 C29 73.4(7) . .
C38 C33 C32 C29 -108.4(6) . .
Cs1 C33 C32 C29 175.8(3) 2_765 .
C34 C33 C32 C39 -160.5(5) . .
C38 C33 C32 C39 17.7(7) . .
Cs1 C33 C32 C39 -58.2(4) 2_765 .
C14 C13 C12 C11 0.2(10) . .
Cs1 C13 C12 C11 66.0(6) . .
C14 C13 C12 Cs1 -65.9(6) . .
F1 C11 C12 C13 -179.5(6) . .
C10 C11 C12 C13 -0.6(10) . .
Cs1 C11 C12 C13 -68.6(6) . .
F1 C11 C12 Cs1 -110.9(5) . .
C10 C11 C12 Cs1 68.0(6) . .
O1 Cs1 C12 C13 140.0(4) 2_766 .
O3 Cs1 C12 C13 4.3(4) . .
O4 Cs1 C12 C13 -47.1(4) 2_765 .
O2 Cs1 C12 C13 113.9(4) . .
C38 Cs1 C12 C13 -123.5(4) 2_765 .
C15 Cs1 C12 C13 62.0(4) . .
C10 Cs1 C12 C13 95.1(5) . .
C44 Cs1 C12 C13 -62.9(4) 2_765 .
C11 Cs1 C12 C13 123.3(6) . .
C14 Cs1 C12 C13 28.8(4) . .
C33 Cs1 C12 C13 -107.6(4) 2_765 .
C37 Cs1 C12 C13 -144.6(4) 2_765 .
O1 Cs1 C12 C11 16.7(5) 2_766 .
O3 Cs1 C12 C11 -119.0(4) . .
O4 Cs1 C12 C11 -170.4(4) 2_765 .
O2 Cs1 C12 C11 -9.5(4) . .
C38 Cs1 C12 C11 113.2(4) 2_765 .
C15 Cs1 C12 C11 -61.3(4) . .
C10 Cs1 C12 C11 -28.2(3) . .
C44 Cs1 C12 C11 173.8(4) 2_765 .
C14 Cs1 C12 C11 -94.5(4) . .
C33 Cs1 C12 C11 129.1(4) 2_765 .
C37 Cs1 C12 C11 92.1(4) 2_765 .
C4 C3 C2 C1 -0.1(10) . .
C4 C3 C2 C7 -179.6(6) . .
C6 C1 C2 C3 -0.3(9) . .
O1 C1 C2 C3 177.7(6) . .
C6 C1 C2 C7 179.1(6) . .
O1 C1 C2 C7 -2.9(8) . .
Cs1 O4 C44 C39 -87.6(4) 2_765 .
Cs1 O4 C44 C43 90.4(4) 2_765 .
O4 C44 C39 C40 -179.9(4) . .
C43 C44 C39 C40 2.1(7) . .
Cs1 C44 C39 C40 120.3(4) 2_765 .
O4 C44 C39 C32 5.5(7) . .
C43 C44 C39 C32 -172.5(4) . .
Cs1 C44 C39 C32 -54.3(5) 2_765 .
C29 C32 C39 C44 -143.9(5) . .
C33 C32 C39 C44 90.1(5) . .
C29 C32 C39 C40 41.5(6) . .
C33 C32 C39 C40 -84.5(6) . .
C44 C39 C40 C41 -1.6(8) . .
C32 C39 C40 C41 173.0(5) . .
C39 C40 C41 C42 0.5(8) . .
C39 C40 C41 C45 -178.8(5) . .
C40 C41 C42 C43 0.2(9) . .
C45 C41 C42 C43 179.4(5) . .
C41 C42 C43 C44 0.3(8) . .
C41 C42 C43 C46 178.1(5) . .
O4 C44 C43 C42 -179.5(4) . .
C39 C44 C43 C42 -1.4(7) . .
Cs1 C44 C43 C42 -118.9(4) 2_765 .
O4 C44 C43 C46 2.7(7) . .
C39 C44 C43 C46 -179.2(5) . .
Cs1 C44 C43 C46 63.3(5) 2_765 .
