#------------------------------------------------------------------------------
#$Date: 2022-07-11 11:37:28 +0300 (Mon, 11 Jul 2022) $
#$Revision: 276752 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/56/8105676.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_8105676
loop_
_publ_author_name
'Sun, Junshan'
'Kong, Yan'
_publ_section_title
;
 The crystal structure of 1,1,1,3,3,3-hexaphenyldistannoxane --
 2,2′-bipyridine (1/1), C46H38N2OSn2
;
_journal_issue                   3
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              445
_journal_page_last               447
_journal_paper_doi               10.1515/ncrs-2018-0457
_journal_volume                  234
_journal_year                    2019
_chemical_formula_sum            'C46 H38 N2 O Sn2'
_chemical_formula_weight         872.16
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2015/1
_cell_angle_alpha                95.397(5)
_cell_angle_beta                 90.138(5)
_cell_angle_gamma                119.283(5)
_cell_formula_units_Z            2
_cell_length_a                   9.657(4)
_cell_length_b                   9.679(4)
_cell_length_c                   24.324(9)
_cell_measurement_reflns_used    3795
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      24.504
_cell_measurement_theta_min      2.427
_cell_volume                     1971.2(14)
_computing_cell_refinement       'SAINT [14]'
_computing_data_collection       'SMART [14]'
_computing_data_reduction        SAINT[14]
_computing_molecular_graphics    'SHELXL-2015 [15]'
_computing_structure_refinement  'SHELXL-2015 [15]'
_computing_structure_solution    'SHELXL-2015 [15]'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0303
_diffrn_reflns_av_unetI/netI     0.0596
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            10366
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.009
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_min         2.422
_exptl_absorpt_coefficient_mu    1.303
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_description       block
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.330
_exptl_crystal_size_mid          0.290
_exptl_crystal_size_min          0.270
_refine_diff_density_max         0.868
_refine_diff_density_min         -0.478
_refine_diff_density_rms         0.084
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         6869
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0623
_refine_ls_R_factor_gt           0.0369
_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/[σ²(Fo²)+(0.0288P)²+0.0375P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0743
_refine_ls_wR_factor_ref         0.0873
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4869
_reflns_number_total             6869
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2018-0457_suppl.cif
_cod_data_source_block           0
_cod_original_cell_volume        1971.2(12)
_cod_database_code               8105676
_shelx_shelxl_version_number     2015/1
_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_estimated_absorpt_t_min   0.673
_shelx_estimated_absorpt_t_max   0.720
loop_
_space_group_symop_operation_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_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
Sn1 Sn 0.80203(4) 0.47262(3) 0.17784(2) 0.04559(11) Uani 1 1 d . . . . .
Sn2 Sn 0.89118(4) 0.58633(3) 0.32355(2) 0.04600(11) Uani 1 1 d . . . . .
N1 N -0.1008(5) 0.7895(5) 0.50785(17) 0.0689(12) Uani 1 1 d . . . . .
N2 N 0.6154(5) 0.3999(5) 0.99172(18) 0.0688(12) Uani 1 1 d . . . . .
O1 O 0.8850(4) 0.4722(4) 0.25156(12) 0.0583(8) Uani 1 1 d . . . . .
C1 C 0.7707(5) 0.2525(5) 0.13838(18) 0.0450(11) Uani 1 1 d . . . . .
C2 C 0.8460(6) 0.1797(5) 0.1615(2) 0.0594(13) Uani 1 1 d . . . . .
H2 H 0.908074 0.226879 0.194304 0.071 Uiso 1 1 calc R U . . .
C3 C 0.8304(7) 0.0375(6) 0.1365(2) 0.0721(16) Uani 1 1 d . . . . .
H3 H 0.882248 -0.009509 0.152570 0.087 Uiso 1 1 calc R U . . .
C4 C 0.7395(7) -0.0336(6) 0.0886(2) 0.0760(16) Uani 1 1 d . . . . .
H4 H 0.729023 -0.128992 0.072001 0.091 Uiso 1 1 calc R U . . .
C5 C 0.6639(7) 0.0356(6) 0.0652(2) 0.0760(17) Uani 1 1 d . . . . .
H5 H 0.601326 -0.013284 0.032631 0.091 Uiso 1 1 calc R U . . .
C6 C 0.6794(6) 0.1782(6) 0.0895(2) 0.0614(14) Uani 1 1 d . . . . .
H6 H 0.628091 0.224708 0.072767 0.074 Uiso 1 1 calc R U . . .
C7 C 0.9855(5) 0.6811(5) 0.1471(2) 0.0502(12) Uani 1 1 d . . . . .
C8 C 1.1274(6) 0.7718(6) 0.1766(2) 0.0712(15) Uani 1 1 d . . . . .
H8 H 1.142122 0.743147 0.210705 0.085 Uiso 1 1 calc R U . . .
C9 C 1.2495(7) 0.9051(7) 0.1572(3) 0.099(2) Uani 1 1 d . . . . .
H9 H 1.345737 0.964272 0.177731 0.119 Uiso 1 1 calc R U . . .
C10 C 1.2279(8) 0.9497(7) 0.1074(3) 0.096(2) Uani 1 1 d . . . . .
H10 H 1.309054 1.040207 0.094298 0.115 Uiso 1 1 calc R U . . .
C11 C 1.0883(8) 0.8619(7) 0.0772(2) 0.0799(17) Uani 1 1 d . . . . .
H11 H 1.073694 0.892270 0.043508 0.096 Uiso 1 1 calc R U . . .
C12 C 0.9684(6) 0.7283(6) 0.0964(2) 0.0623(13) Uani 1 1 d . . . . .
H12 H 0.873736 0.668050 0.075064 0.075 Uiso 1 1 calc R U . . .
C13 C 0.5864(5) 0.4788(5) 0.18301(18) 0.0488(11) Uani 1 1 d . . . . .
C14 C 0.5735(6) 0.6072(6) 0.1678(2) 0.0662(14) Uani 1 1 d . . . . .
H14 H 0.661490 0.691961 0.154741 0.079 Uiso 1 1 calc R U . . .
C15 C 0.4337(8) 0.6117(7) 0.1717(3) 0.0829(18) Uani 1 1 d . . . . .
H15 H 0.428302 0.699057 0.161258 0.100 Uiso 1 1 calc R U . . .
C16 C 0.3040(8) 0.4900(9) 0.1905(2) 0.0827(18) Uani 1 1 d . . . . .
H16 H 0.210270 0.494593 0.193370 0.099 Uiso 1 1 calc R U . . .
C17 C 0.3097(7) 0.3601(8) 0.2054(2) 0.0880(19) Uani 1 1 d . . . . .
H17 H 0.219977 0.275838 0.217922 0.106 Uiso 1 1 calc R U . . .
C18 C 0.4518(6) 0.3550(6) 0.2018(2) 0.0672(14) Uani 1 1 d . . . . .
H18 H 0.455792 0.266856 0.212119 0.081 Uiso 1 1 calc R U . . .
C19 C 0.8896(6) 0.8033(5) 0.31503(18) 0.0494(11) Uani 1 1 d . . . . .
C20 C 1.0294(7) 0.9475(6) 0.3240(2) 0.0724(15) Uani 1 1 d . . . . .
H20 H 1.123570 0.949060 0.333420 0.087 Uiso 1 1 calc R U . . .
C21 C 1.0307(8) 1.0894(6) 0.3190(3) 0.0844(18) Uani 1 1 d . . . . .
H21 H 1.124516 1.185807 0.326410 0.101 Uiso 1 1 calc R U . . .
C22 C 0.8952(8) 1.0876(7) 0.3032(2) 0.0797(17) Uani 1 1 d . . . . .
H22 H 0.896994 1.182755 0.298683 0.096 Uiso 1 1 calc R U . . .
C23 C 0.7574(8) 0.9484(7) 0.2941(2) 0.0840(18) Uani 1 1 d . . . . .
H23 H 0.664722 0.948369 0.283660 0.101 Uiso 1 1 calc R U . . .
C24 C 0.7534(6) 0.8050(6) 0.3003(2) 0.0663(14) Uani 1 1 d . . . . .
H24 H 0.657702 0.709820 0.294361 0.080 Uiso 1 1 calc R U . . .
C25 C 0.6856(5) 0.4172(5) 0.36092(18) 0.0430(10) Uani 1 1 d . . . . .
C26 C 0.6049(6) 0.2606(6) 0.3373(2) 0.0596(13) Uani 1 1 d . . . . .
H26 H 0.639086 0.231632 0.304773 0.071 Uiso 1 1 calc R U . . .
C27 C 0.4745(6) 0.1467(6) 0.3611(3) 0.0740(16) Uani 1 1 d . . . . .
H27 H 0.423177 0.041636 0.344971 0.089 Uiso 1 1 calc R U . . .
C28 C 0.4205(6) 0.1877(7) 0.4084(3) 0.0760(16) Uani 1 1 d . . . . .
H28 H 0.331648 0.111478 0.424213 0.091 Uiso 1 1 calc R U . . .
C29 C 0.4989(7) 0.3419(7) 0.4320(2) 0.0755(16) Uani 1 1 d . . . . .
H29 H 0.463067 0.370818 0.464156 0.091 Uiso 1 1 calc R U . . .
C30 C 0.6313(6) 0.4561(6) 0.4084(2) 0.0629(14) Uani 1 1 d . . . . .
H30 H 0.683825 0.560466 0.425242 0.075 Uiso 1 1 calc R U . . .
C31 C 1.1138(5) 0.6321(5) 0.35928(18) 0.0465(11) Uani 1 1 d . . . . .
C32 C 1.1920(6) 0.5598(6) 0.3327(2) 0.0652(14) Uani 1 1 d . . . . .
H32 H 1.146907 0.494090 0.299789 0.078 Uiso 1 1 calc R U . . .
C33 C 1.3337(7) 0.5829(7) 0.3536(3) 0.0838(18) Uani 1 1 d . . . . .
H33 H 1.384340 0.533117 0.335073 0.101 Uiso 1 1 calc R U . . .
C34 C 1.4016(6) 0.6796(7) 0.4021(3) 0.0793(17) Uani 1 1 d . . . . .
H34 H 1.497876 0.694887 0.416622 0.095 Uiso 1 1 calc R U . . .
C35 C 1.3280(6) 0.7523(6) 0.4286(2) 0.0726(16) Uani 1 1 d . . . . .
H35 H 1.375205 0.819296 0.461043 0.087 Uiso 1 1 calc R U . . .
C36 C 1.1835(6) 0.7285(5) 0.4081(2) 0.0570(13) Uani 1 1 d . . . . .
H36 H 1.133053 0.777486 0.427241 0.068 Uiso 1 1 calc R U . . .
C37 C 0.8145(8) 0.6751(8) 0.9459(2) 0.0862(19) Uani 1 1 d . . . . .
H37 H 0.881713 0.768406 0.930731 0.103 Uiso 1 1 calc R U . . .
C38 C 0.6741(6) 0.6526(6) 0.9661(2) 0.0630(14) Uani 1 1 d . . . . .
H38 H 0.644667 0.730394 0.964317 0.076 Uiso 1 1 calc R U . . .
C39 C 0.5759(5) 0.5146(6) 0.98902(18) 0.0500(12) Uani 1 1 d . . . . .
C40 C 0.8552(8) 0.5590(9) 0.9484(2) 0.092(2) Uani 1 1 d . . . . .
H40 H 0.950100 0.571390 0.934823 0.110 Uiso 1 1 calc R U . . .
C41 C 0.7534(8) 0.4252(8) 0.9710(3) 0.0854(18) Uani 1 1 d . . . . .
H41 H 0.781152 0.346075 0.972330 0.103 Uiso 1 1 calc R U . . .
C42 C 0.1908(8) 0.8771(9) 0.5585(2) 0.0840(18) Uani 1 1 d . . . . .
H42 H 0.289069 0.907104 0.575682 0.101 Uiso 1 1 calc R U . . .
C43 C 0.1631(6) 0.9876(7) 0.5369(2) 0.0667(14) Uani 1 1 d . . . . .
H43 H 0.243221 1.093436 0.538967 0.080 Uiso 1 1 calc R U . . .
C44 C 0.0179(5) 0.9424(5) 0.51227(17) 0.0487(11) Uani 1 1 d . . . . .
C45 C 0.0727(9) 0.7232(8) 0.5544(2) 0.0873(19) Uani 1 1 d . . . . .
H45 H 0.088482 0.645672 0.568524 0.105 Uiso 1 1 calc R U . . .
C46 C -0.0678(8) 0.6853(7) 0.5296(3) 0.0856(18) Uani 1 1 d . . . . .
H46 H -0.147923 0.579405 0.527268 0.103 Uiso 1 1 calc R U . . .
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'
Sn Sn -0.6537 1.4246 '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
O1 Sn1 C13 110.76(15) . .
O1 Sn1 C1 100.43(14) . .
C13 Sn1 C1 112.89(17) . .
O1 Sn1 C7 104.71(16) . .
C13 Sn1 C7 111.88(17) . .
C1 Sn1 C7 115.18(17) . .
O1 Sn2 C25 103.35(15) . .
O1 Sn2 C31 100.87(16) . .
C25 Sn2 C31 115.42(15) . .
O1 Sn2 C19 112.10(14) . .
C25 Sn2 C19 112.98(17) . .
C31 Sn2 C19 111.19(17) . .
C46 N1 C44 116.1(5) . .
C41 N2 C39 117.3(5) . .
Sn1 O1 Sn2 131.57(16) . .
C2 C1 C6 117.6(4) . .
C2 C1 Sn1 119.4(3) . .
C6 C1 Sn1 123.0(3) . .
C1 C2 C3 121.0(5) . .
C1 C2 H2 119.5 . .
C3 C2 H2 119.5 . .
C4 C3 C2 120.3(5) . .
C4 C3 H3 119.9 . .
C2 C3 H3 119.9 . .
C5 C4 C3 119.7(5) . .
C5 C4 H4 120.1 . .
C3 C4 H4 120.1 . .
C4 C5 C6 120.6(5) . .
C4 C5 H5 119.7 . .
C6 C5 H5 119.7 . .
C5 C6 C1 120.7(5) . .
C5 C6 H6 119.6 . .
C1 C6 H6 119.6 . .
C8 C7 C12 117.3(4) . .
C8 C7 Sn1 120.3(4) . .
C12 C7 Sn1 122.4(4) . .
C7 C8 C9 121.6(5) . .
C7 C8 H8 119.2 . .
C9 C8 H8 119.2 . .
C10 C9 C8 119.6(6) . .
C10 C9 H9 120.2 . .
C8 C9 H9 120.2 . .
C11 C10 C9 120.0(6) . .
C11 C10 H10 120.0 . .
C9 C10 H10 120.0 . .
C10 C11 C12 120.1(6) . .
C10 C11 H11 119.9 . .
C12 C11 H11 119.9 . .
C11 C12 C7 121.4(5) . .
C11 C12 H12 119.3 . .
C7 C12 H12 119.3 . .
C18 C13 C14 117.0(5) . .
C18 C13 Sn1 121.4(3) . .
C14 C13 Sn1 121.6(4) . .
C15 C14 C13 121.6(5) . .
C15 C14 H14 119.2 . .
C13 C14 H14 119.2 . .
C16 C15 C14 120.4(6) . .
C16 C15 H15 119.8 . .
C14 C15 H15 119.8 . .
C15 C16 C17 120.4(6) . .
C15 C16 H16 119.8 . .
C17 C16 H16 119.8 . .
C16 C17 C18 119.5(5) . .
C16 C17 H17 120.3 . .
C18 C17 H17 120.3 . .
C13 C18 C17 121.2(5) . .
C13 C18 H18 119.4 . .
C17 C18 H18 119.4 . .
C24 C19 C20 118.2(4) . .
C24 C19 Sn2 122.0(4) . .
C20 C19 Sn2 119.9(4) . .
C21 C20 C19 120.7(5) . .
C21 C20 H20 119.6 . .
C19 C20 H20 119.6 . .
C22 C21 C20 119.9(6) . .
C22 C21 H21 120.1 . .
C20 C21 H21 120.1 . .
C23 C22 C21 120.4(5) . .
C23 C22 H22 119.8 . .
C21 C22 H22 119.8 . .
C22 C23 C24 120.4(6) . .
C22 C23 H23 119.8 . .
C24 C23 H23 119.8 . .
C19 C24 C23 120.4(5) . .
C19 C24 H24 119.8 . .
C23 C24 H24 119.8 . .
C30 C25 C26 117.9(4) . .
C30 C25 Sn2 122.7(3) . .
C26 C25 Sn2 119.4(4) . .
C27 C26 C25 121.2(5) . .
C27 C26 H26 119.4 . .
C25 C26 H26 119.4 . .
C28 C27 C26 120.2(5) . .
C28 C27 H27 119.9 . .
C26 C27 H27 119.9 . .
C29 C28 C27 119.1(5) . .
C29 C28 H28 120.5 . .
C27 C28 H28 120.5 . .
C28 C29 C30 120.7(5) . .
C28 C29 H29 119.7 . .
C30 C29 H29 119.7 . .
C25 C30 C29 120.9(5) . .
C25 C30 H30 119.6 . .
C29 C30 H30 119.6 . .
C36 C31 C32 117.9(4) . .
C36 C31 Sn2 123.6(4) . .
C32 C31 Sn2 118.5(3) . .
C33 C32 C31 121.3(5) . .
C33 C32 H32 119.3 . .
C31 C32 H32 119.3 . .
C32 C33 C34 120.0(5) . .
C32 C33 H33 120.0 . .
C34 C33 H33 120.0 . .
C35 C34 C33 119.7(5) . .
C35 C34 H34 120.1 . .
C33 C34 H34 120.1 . .
C34 C35 C36 120.9(5) . .
C34 C35 H35 119.6 . .
C36 C35 H35 119.6 . .
C31 C36 C35 120.2(5) . .
C31 C36 H36 119.9 . .
C35 C36 H36 119.9 . .
C38 C37 C40 119.3(6) . .
C38 C37 H37 120.4 . .
C40 C37 H37 120.4 . .
C37 C38 C39 120.0(5) . .
C37 C38 H38 120.0 . .
C39 C38 H38 120.0 . .
N2 C39 C38 121.1(5) . .
N2 C39 C39 117.1(5) . 2_667
C38 C39 C39 121.8(5) . 2_667
C41 C40 C37 118.2(6) . .
C41 C40 H40 120.9 . .
C37 C40 H40 120.9 . .
N2 C41 C40 124.1(6) . .
N2 C41 H41 117.9 . .
C40 C41 H41 117.9 . .
C45 C42 C43 118.9(6) . .
C45 C42 H42 120.5 . .
C43 C42 H42 120.5 . .
C44 C43 C42 120.0(5) . .
C44 C43 H43 120.0 . .
C42 C43 H43 120.0 . .
N1 C44 C43 121.7(4) . .
N1 C44 C44 116.2(5) . 2_576
C43 C44 C44 122.1(5) . 2_576
C46 C45 C42 118.6(6) . .
C46 C45 H45 120.7 . .
C42 C45 H45 120.7 . .
C45 C46 N1 124.7(6) . .
C45 C46 H46 117.7 . .
N1 C46 H46 117.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 O1 1.964(3) .
Sn1 C13 2.116(5) .
Sn1 C1 2.130(4) .
Sn1 C7 2.137(4) .
Sn2 O1 1.965(3) .
Sn2 C25 2.134(4) .
Sn2 C31 2.136(4) .
Sn2 C19 2.137(4) .
N1 C46 1.347(7) .
N1 C44 1.351(5) .
N2 C41 1.340(7) .
N2 C39 1.345(6) .
C1 C2 1.384(6) .
C1 C6 1.387(6) .
C2 C3 1.388(7) .
C2 H2 0.9300 .
C3 C4 1.362(7) .
C3 H3 0.9300 .
C4 C5 1.361(7) .
C4 H4 0.9300 .
C5 C6 1.386(7) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 C8 1.366(6) .
C7 C12 1.390(6) .
C8 C9 1.381(7) .
C8 H8 0.9300 .
C9 C10 1.373(8) .
C9 H9 0.9300 .
C10 C11 1.354(8) .
C10 H10 0.9300 .
C11 C12 1.371(7) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 C18 1.384(6) .
C13 C14 1.391(6) .
C14 C15 1.376(7) .
C14 H14 0.9300 .
C15 C16 1.352(8) .
C15 H15 0.9300 .
C16 C17 1.367(8) .
C16 H16 0.9300 .
C17 C18 1.400(8) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C24 1.371(6) .
C19 C20 1.384(6) .
C20 C21 1.384(7) .
C20 H20 0.9300 .
C21 C22 1.354(8) .
C21 H21 0.9300 .
C22 C23 1.350(7) .
C22 H22 0.9300 .
C23 C24 1.391(7) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 C30 1.367(6) .
C25 C26 1.383(6) .
C26 C27 1.379(7) .
C26 H26 0.9300 .
C27 C28 1.368(7) .
C27 H27 0.9300 .
C28 C29 1.365(7) .
C28 H28 0.9300 .
C29 C30 1.387(7) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 C36 1.381(6) .
C31 C32 1.383(6) .
C32 C33 1.364(7) .
C32 H32 0.9300 .
C33 C34 1.373(7) .
C33 H33 0.9300 .
C34 C35 1.350(7) .
C34 H34 0.9300 .
C35 C36 1.382(7) .
C35 H35 0.9300 .
C36 H36 0.9300 .
C37 C38 1.363(8) .
C37 C40 1.365(8) .
C37 H37 0.9300 .
C38 C39 1.378(6) .
C38 H38 0.9300 .
C39 C39 1.464(9) 2_667
C40 C41 1.356(8) .
C40 H40 0.9300 .
C41 H41 0.9300 .
C42 C45 1.356(8) .
C42 C43 1.371(7) .
C42 H42 0.9300 .
C43 C44 1.365(6) .
C43 H43 0.9300 .
C44 C44 1.489(8) 2_576
C45 C46 1.344(8) .
C45 H45 0.9300 .
C46 H46 0.9300 .
