#------------------------------------------------------------------------------
#$Date: 2023-02-14 12:27:26 +0200 (Tue, 14 Feb 2023) $
#$Revision: 280887 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/67/8106782.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_8106782
loop_
_publ_author_name
'Liu, Zhao-Di'
'Sun, Fei'
'Wang, Fan'
'Xu, Hua-Jie'
_publ_section_title
;
 Crystal structure of 2,5-diethoxy-1,4-bis[2-(quinoline)ethenyl]benzene,
 C32H28N2O2
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              49
_journal_page_last               51
_journal_paper_doi               10.1515/ncrs-2014-9118
_journal_volume                  231
_journal_year                    2016
_chemical_formula_sum            'C32 H28 N2 O2'
_chemical_formula_weight         472.56
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 106.5210(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.1291(10)
_cell_length_b                   25.731(3)
_cell_length_c                   10.2395(10)
_cell_measurement_reflns_used    4360
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.49
_cell_measurement_theta_min      2.22
_cell_volume                     2558.6(5)
_computing_cell_refinement       'SAINT [10]'
_computing_data_collection       'SMART [10]'
_computing_data_reduction        'SAINT [10]'
_computing_molecular_graphics    'SHELXTL [11]'
_computing_publication_material  'SHELXTL [11]'
_computing_structure_refinement  'SHELXL [11]'
_computing_structure_solution    'SHELXS [10]'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0296
_diffrn_reflns_av_sigmaI/netI    0.0272
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            18052
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    0.077
_exptl_absorpt_correction_T_max  0.9924
_exptl_absorpt_correction_T_min  0.9924
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996 [9])'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.227
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.145
_refine_diff_density_min         -0.173
_refine_diff_density_rms         0.029
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     327
_refine_ls_number_reflns         4498
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0694
_refine_ls_R_factor_gt           0.0402
_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)+(0.0661P)²+0.2516P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1045
_refine_ls_wR_factor_ref         0.1254
_reflns_number_gt                3008
_reflns_number_total             4498
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            suppl_ncrs-2014-9118_suppl.cif
_cod_data_source_block           liu
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8738 2021-04-28 16:35:53Z antanas 
;
_cod_original_cell_volume        2558.6(4)
_cod_original_sg_symbol_H-M      'P2(1)/n  '
_cod_database_code               8106782
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
N1 N 1.26448(12) 0.24469(5) 0.06776(13) 0.0436(3) Uani 1 1 d . . .
N2 N 0.57818(13) 0.63842(5) 0.05250(14) 0.0472(3) Uani 1 1 d . . .
O1 O 0.71317(12) 0.42498(4) -0.16557(12) 0.0563(3) Uani 1 1 d . . .
C1 C 1.27378(15) 0.28603(5) 0.14697(16) 0.0401(4) Uani 1 1 d . . .
C28 C 0.46787(16) 0.67175(6) 0.01821(16) 0.0427(4) Uani 1 1 d . . .
C23 C 0.34705(16) 0.66147(6) -0.08773(16) 0.0424(4) Uani 1 1 d . . .
C4 C 1.49045(15) 0.21669(6) 0.20613(16) 0.0433(4) Uani 1 1 d . . .
C15 C 0.81633(16) 0.47726(6) 0.02420(17) 0.0449(4) Uani 1 1 d . . .
C9 C 1.37232(16) 0.21058(5) 0.09452(15) 0.0416(4) Uani 1 1 d . . .
C10 C 1.15720(16) 0.32192(6) 0.10803(16) 0.0456(4) Uani 1 1 d . . .
H10 H 1.0811 0.3108 0.0391 0.055 Uiso 1 1 calc R . .
C2 C 1.38990(16) 0.29495(6) 0.25971(16) 0.0457(4) Uani 1 1 d . . .
H2 H 1.3936 0.3243 0.3136 0.055 Uiso 1 1 calc R . .
C20 C 0.57004(16) 0.59479(6) -0.01846(16) 0.0436(4) Uani 1 1 d . . .
C22 C 0.34379(17) 0.61488(6) -0.16104(17) 0.0482(4) Uani 1 1 d . . .
H22 H 0.2665 0.6065 -0.2321 0.058 Uiso 1 1 calc R . .
C14 C 0.92136(17) 0.48509(6) 0.14439(18) 0.0504(4) Uani 1 1 d . . .
H14 H 0.9197 0.5148 0.1957 0.060 Uiso 1 1 calc R . .
C12 C 1.03364(16) 0.40512(6) 0.11323(17) 0.0449(4) Uani 1 1 d . . .
C16 C 0.82100(16) 0.43196(6) -0.05081(16) 0.0443(4) Uani 1 1 d . . .
C3 C 1.49585(17) 0.26069(6) 0.28918(17) 0.0483(4) Uani 1 1 d . . .
H3 H 1.5719 0.2662 0.3640 0.058 Uiso 1 1 calc R . .
C11 C 1.14797(16) 0.36840(6) 0.15992(17) 0.0482(4) Uani 1 1 d . . .
H11 H 1.2210 0.3788 0.2331 0.058 Uiso 1 1 calc R . .
C27 C 0.47551(18) 0.71787(6) 0.09518(18) 0.0533(4) Uani 1 1 d . . .
H27 H 0.5551 0.7255 0.1643 0.064 Uiso 1 1 calc R . .
C19 C 0.68798(17) 0.55988(6) 0.02623(17) 0.0509(4) Uani 1 1 d . . .
H19 H 0.7621 0.5718 0.0963 0.061 Uiso 1 1 calc R . .
C21 C 0.45316(17) 0.58244(6) -0.12791(17) 0.0483(4) Uani 1 1 d . . .
H21 H 0.4517 0.5520 -0.1771 0.058 Uiso 1 1 calc R . .
O2 O 1.13131(13) 0.45513(4) 0.30938(13) 0.0724(4) Uani 1 1 d . . .
C17 C 0.92933(16) 0.39756(6) -0.00774(17) 0.0459(4) Uani 1 1 d . . .
H17 H 0.9328 0.3686 -0.0609 0.055 Uiso 1 1 calc R . .
C13 C 1.02797(17) 0.44995(6) 0.18945(18) 0.0499(4) Uani 1 1 d . . .
C24 C 0.23675(18) 0.69695(6) -0.11230(19) 0.0538(4) Uani 1 1 d . . .
H24 H 0.1565 0.6904 -0.1817 0.065 Uiso 1 1 calc R . .
C8 C 1.36469(18) 0.16822(6) 0.00561(17) 0.0539(4) Uani 1 1 d . . .
H8 H 1.2868 0.1638 -0.0680 0.065 Uiso 1 1 calc R . .
C18 C 0.70037(17) 0.51320(6) -0.02251(18) 0.0488(4) Uani 1 1 d . . .
H18 H 0.6273 0.5019 -0.0945 0.059 Uiso 1 1 calc R . .
C5 C 1.59720(18) 0.17946(7) 0.22676(19) 0.0582(5) Uani 1 1 d . . .
H5 H 1.6748 0.1825 0.3013 0.070 Uiso 1 1 calc R . .
C25 C 0.2465(2) 0.74068(7) -0.0356(2) 0.0605(5) Uani 1 1 d . . .
H25 H 0.1727 0.7637 -0.0524 0.073 Uiso 1 1 calc R . .
C29 C 0.70875(18) 0.37834(6) -0.24238(17) 0.0544(5) Uani 1 1 d . . .
H29A H 0.7158 0.3482 -0.1837 0.065 Uiso 1 1 calc R . .
H29B H 0.7849 0.3776 -0.2822 0.065 Uiso 1 1 calc R . .
C7 C 1.4708(2) 0.13347(7) 0.0266(2) 0.0649(5) Uani 1 1 d . . .
H7 H 1.4656 0.1060 -0.0337 0.078 Uiso 1 1 calc R . .
C26 C 0.3661(2) 0.75122(6) 0.0681(2) 0.0604(5) Uani 1 1 d . . .
H26 H 0.3717 0.7814 0.1195 0.072 Uiso 1 1 calc R . .
C6 C 1.5871(2) 0.13923(7) 0.1384(2) 0.0677(5) Uani 1 1 d . . .
H6 H 1.6585 0.1152 0.1526 0.081 Uiso 1 1 calc R . .
C31 C 1.1431(2) 0.50111(7) 0.3832(2) 0.0721(6) Uani 1 1 d . . .
H31A H 1.0611 0.5065 0.4124 0.086 Uiso 1 1 calc R . .
H31B H 1.1530 0.5303 0.3267 0.086 Uiso 1 1 calc R . .
C30 C 0.5747(2) 0.37750(8) -0.3521(2) 0.0789(6) Uani 1 1 d . . .
H30A H 0.5001 0.3791 -0.3117 0.118 Uiso 1 1 calc R . .
H30B H 0.5679 0.3460 -0.4038 0.118 Uiso 1 1 calc R . .
H30C H 0.5700 0.4068 -0.4111 0.118 Uiso 1 1 calc R . .
C32 C 1.2668(3) 0.49741(9) 0.5047(2) 0.1014(8) Uani 1 1 d . . .
H32A H 1.2566 0.4683 0.5597 0.152 Uiso 1 1 calc R . .
H32B H 1.2753 0.5288 0.5573 0.152 Uiso 1 1 calc R . .
H32C H 1.3478 0.4928 0.4750 0.152 Uiso 1 1 calc R . .
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'
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 N1 C9 118.64(13) . .
C20 N2 C28 117.99(14) . .
C16 O1 C29 118.35(12) . .
N1 C1 C2 121.89(13) . .
N1 C1 C10 115.40(14) . .
C2 C1 C10 122.70(14) . .
N2 C28 C23 123.00(14) . .
N2 C28 C27 118.04(15) . .
C23 C28 C27 118.94(14) . .
C24 C23 C22 123.96(16) . .
C24 C23 C28 119.10(15) . .
C22 C23 C28 116.93(14) . .
C9 C4 C3 117.26(14) . .
C9 C4 C5 118.83(16) . .
C3 C4 C5 123.90(16) . .
C14 C15 C16 117.84(14) . .
C14 C15 C18 122.49(15) . .
C16 C15 C18 119.63(15) . .
N1 C9 C4 122.47(14) . .
N1 C9 C8 118.27(14) . .
C4 C9 C8 119.25(14) . .
C11 C10 C1 127.25(16) . .
C11 C10 H10 116.4 . .
C1 C10 H10 116.4 . .
C3 C2 C1 119.93(15) . .
C3 C2 H2 120.0 . .
C1 C2 H2 120.0 . .
N2 C20 C21 122.08(14) . .
N2 C20 C19 115.52(15) . .
C21 C20 C19 122.37(14) . .
C21 C22 C23 119.89(16) . .
C21 C22 H22 120.1 . .
C23 C22 H22 120.1 . .
C13 C14 C15 121.84(15) . .
C13 C14 H14 119.1 . .
C15 C14 H14 119.1 . .
C17 C12 C13 117.93(14) . .
C17 C12 C11 121.92(14) . .
C13 C12 C11 120.14(15) . .
O1 C16 C17 123.88(14) . .
O1 C16 C15 115.80(13) . .
C17 C16 C15 120.32(15) . .
C2 C3 C4 119.77(15) . .
C2 C3 H3 120.1 . .
C4 C3 H3 120.1 . .
C10 C11 C12 126.27(16) . .
C10 C11 H11 116.9 . .
C12 C11 H11 116.9 . .
C26 C27 C28 120.08(17) . .
C26 C27 H27 120.0 . .
C28 C27 H27 120.0 . .
C18 C19 C20 126.75(17) . .
C18 C19 H19 116.6 . .
C20 C19 H19 116.6 . .
C22 C21 C20 120.10(15) . .
C22 C21 H21 119.9 . .
C20 C21 H21 119.9 . .
C13 O2 C31 119.60(14) . .
C16 C17 C12 121.80(15) . .
C16 C17 H17 119.1 . .
C12 C17 H17 119.1 . .
O2 C13 C14 123.95(15) . .
O2 C13 C12 115.81(14) . .
C14 C13 C12 120.23(16) . .
C25 C24 C23 120.64(18) . .
C25 C24 H24 119.7 . .
C23 C24 H24 119.7 . .
C7 C8 C9 120.57(17) . .
C7 C8 H8 119.7 . .
C9 C8 H8 119.7 . .
C19 C18 C15 127.21(17) . .
C19 C18 H18 116.4 . .
C15 C18 H18 116.4 . .
C6 C5 C4 120.45(17) . .
C6 C5 H5 119.8 . .
C4 C5 H5 119.8 . .
C24 C25 C26 120.38(16) . .
C24 C25 H25 119.8 . .
C26 C25 H25 119.8 . .
O1 C29 C30 107.76(14) . .
O1 C29 H29A 110.2 . .
C30 C29 H29A 110.2 . .
O1 C29 H29B 110.2 . .
C30 C29 H29B 110.2 . .
H29A C29 H29B 108.5 . .
C8 C7 C6 120.06(17) . .
C8 C7 H7 120.0 . .
C6 C7 H7 120.0 . .
C27 C26 C25 120.85(17) . .
C27 C26 H26 119.6 . .
C25 C26 H26 119.6 . .
C5 C6 C7 120.81(16) . .
C5 C6 H6 119.6 . .
C7 C6 H6 119.6 . .
O2 C31 C32 108.67(17) . .
O2 C31 H31A 110.0 . .
C32 C31 H31A 110.0 . .
O2 C31 H31B 110.0 . .
C32 C31 H31B 110.0 . .
H31A C31 H31B 108.3 . .
C29 C30 H30A 109.5 . .
C29 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C29 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N1 C1 1.3248(18) .
N1 C9 1.3668(18) .
N2 C20 1.3270(19) .
N2 C28 1.3727(18) .
O1 C16 1.3697(18) .
O1 C29 1.4286(18) .
C1 C2 1.413(2) .
C1 C10 1.462(2) .
C28 C23 1.410(2) .
C28 C27 1.414(2) .
C23 C24 1.409(2) .
C23 C22 1.410(2) .
C4 C9 1.409(2) .
C4 C3 1.408(2) .
C4 C5 1.415(2) .
C15 C14 1.394(2) .
C15 C16 1.404(2) .
C15 C18 1.464(2) .
C9 C8 1.408(2) .
C10 C11 1.323(2) .
C10 H10 0.9300 .
C2 C3 1.355(2) .
C2 H2 0.9300 .
C20 C21 1.416(2) .
C20 C19 1.460(2) .
C22 C21 1.351(2) .
C22 H22 0.9300 .
C14 C13 1.383(2) .
C14 H14 0.9300 .
C12 C17 1.394(2) .
C12 C13 1.403(2) .
C12 C11 1.466(2) .
C16 C17 1.381(2) .
C3 H3 0.9300 .
C11 H11 0.9300 .
C27 C26 1.366(2) .
C27 H27 0.9300 .
C19 C18 1.320(2) .
C19 H19 0.9300 .
C21 H21 0.9300 .
O2 C13 1.3749(19) .
O2 C31 1.391(2) .
C17 H17 0.9300 .
C24 C25 1.360(2) .
C24 H24 0.9300 .
C8 C7 1.367(2) .
C8 H8 0.9300 .
C18 H18 0.9300 .
C5 C6 1.359(3) .
C5 H5 0.9300 .
C25 C26 1.392(3) .
C25 H25 0.9300 .
C29 C30 1.496(2) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C7 C6 1.398(3) .
C7 H7 0.9300 .
C26 H26 0.9300 .
C6 H6 0.9300 .
C31 C32 1.496(3) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C9 N1 C1 C2 -1.7(2) . . . .
C9 N1 C1 C10 177.23(13) . . . .
C20 N2 C28 C23 0.4(2) . . . .
C20 N2 C28 C27 179.00(14) . . . .
N2 C28 C23 C24 177.51(14) . . . .
C27 C28 C23 C24 -1.1(2) . . . .
N2 C28 C23 C22 -1.0(2) . . . .
C27 C28 C23 C22 -179.59(14) . . . .
C1 N1 C9 C4 2.5(2) . . . .
C1 N1 C9 C8 -176.70(14) . . . .
C3 C4 C9 N1 -1.6(2) . . . .
C5 C4 C9 N1 179.76(14) . . . .
C3 C4 C9 C8 177.60(14) . . . .
C5 C4 C9 C8 -1.0(2) . . . .
N1 C1 C10 C11 -171.72(16) . . . .
C2 C1 C10 C11 7.2(3) . . . .
N1 C1 C2 C3 0.1(2) . . . .
C10 C1 C2 C3 -178.80(14) . . . .
C28 N2 C20 C21 0.9(2) . . . .
C28 N2 C20 C19 -177.56(13) . . . .
C24 C23 C22 C21 -178.17(15) . . . .
C28 C23 C22 C21 0.3(2) . . . .
C16 C15 C14 C13 0.4(2) . . . .
C18 C15 C14 C13 177.90(15) . . . .
C29 O1 C16 C17 2.9(2) . . . .
C29 O1 C16 C15 -176.96(13) . . . .
C14 C15 C16 O1 177.77(13) . . . .
C18 C15 C16 O1 0.2(2) . . . .
C14 C15 C16 C17 -2.1(2) . . . .
C18 C15 C16 C17 -179.69(14) . . . .
C1 C2 C3 C4 0.8(2) . . . .
C9 C4 C3 C2 -0.1(2) . . . .
C5 C4 C3 C2 178.46(15) . . . .
C1 C10 C11 C12 175.72(15) . . . .
C17 C12 C11 C10 -10.2(3) . . . .
C13 C12 C11 C10 170.91(16) . . . .
N2 C28 C27 C26 -177.52(15) . . . .
C23 C28 C27 C26 1.1(2) . . . .
N2 C20 C19 C18 175.70(16) . . . .
C21 C20 C19 C18 -2.8(3) . . . .
C23 C22 C21 C20 1.0(2) . . . .
N2 C20 C21 C22 -1.6(2) . . . .
C19 C20 C21 C22 176.72(15) . . . .
O1 C16 C17 C12 -176.99(14) . . . .
C15 C16 C17 C12 2.9(2) . . . .
C13 C12 C17 C16 -1.8(2) . . . .
C11 C12 C17 C16 179.34(14) . . . .
C31 O2 C13 C14 -9.0(3) . . . .
C31 O2 C13 C12 172.44(16) . . . .
C15 C14 C13 O2 -177.81(15) . . . .
C15 C14 C13 C12 0.7(3) . . . .
C17 C12 C13 O2 178.61(14) . . . .
C11 C12 C13 O2 -2.5(2) . . . .
C17 C12 C13 C14 0.0(2) . . . .
C11 C12 C13 C14 178.92(15) . . . .
C22 C23 C24 C25 178.72(16) . . . .
C28 C23 C24 C25 0.3(2) . . . .
N1 C9 C8 C7 178.91(15) . . . .
C4 C9 C8 C7 -0.4(2) . . . .
C20 C19 C18 C15 -178.03(15) . . . .
C14 C15 C18 C19 11.0(3) . . . .
C16 C15 C18 C19 -171.49(16) . . . .
C9 C4 C5 C6 1.5(2) . . . .
C3 C4 C5 C6 -176.97(16) . . . .
C23 C24 C25 C26 0.4(3) . . . .
C16 O1 C29 C30 173.77(14) . . . .
C9 C8 C7 C6 1.2(3) . . . .
C28 C27 C26 C25 -0.4(3) . . . .
C24 C25 C26 C27 -0.4(3) . . . .
C4 C5 C6 C7 -0.7(3) . . . .
C8 C7 C6 C5 -0.7(3) . . . .
C13 O2 C31 C32 -177.39(17) . . . .
