#------------------------------------------------------------------------------
#$Date: 2025-08-22 18:52:37 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301865 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/07/7220751.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_7220751
loop_
_publ_author_name
'Xiong, Yao'
'Chen, Ligong'
'Yin, Guohui'
'Yan, Xilong'
'Ma, Yawen'
_publ_section_title
;
 Significant effect of alkyl chain length on fluorescent thermochromism of
 9,10-bis(p-alkoxystyryl)anthracenes
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C5RA08809G
_journal_year                    2015
_chemical_formula_sum            'C31 H43 O'
_chemical_formula_weight         431.65
_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
_audit_update_record
;
2015-04-03 deposited with the CCDC.
2015-06-10 downloaded from the CCDC.
;
_cell_angle_alpha                89.974(3)
_cell_angle_beta                 89.926(3)
_cell_angle_gamma                88.837(3)
_cell_formula_units_Z            2
_cell_length_a                   5.4009(2)
_cell_length_b                   7.3944(3)
_cell_length_c                   31.9700(11)
_cell_measurement_reflns_used    5296
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      28.9030
_cell_measurement_theta_min      3.3450
_cell_volume                     1276.50(8)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector_area_resol_mean 16.0793
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0325
_diffrn_reflns_av_sigmaI/netI    0.0350
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            17991
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.19
_diffrn_standards_number         19396
_exptl_absorpt_coefficient_mu    0.065
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.55454
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.123
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plan
_exptl_crystal_F_000             474
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.221
_refine_diff_density_min         -0.238
_refine_diff_density_rms         0.046
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     290
_refine_ls_number_reflns         5234
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0714
_refine_ls_R_factor_gt           0.0509
_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)+(0.0515P)²+0.7092P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1275
_refine_ls_wR_factor_ref         0.1406
_reflns_number_gt                3877
_reflns_number_total             5234
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ra08809g2.cif
_cod_data_source_block           exp_694
_cod_database_code               7220751
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
C1 C -0.0083(3) 1.35328(19) 0.02900(5) 0.0141(3) Uani 1 1 d .
C2 C -0.1729(3) 1.3607(2) -0.00510(5) 0.0143(3) Uani 1 1 d .
C3 C -0.3564(3) 1.2263(2) -0.01126(5) 0.0173(3) Uani 1 1 d .
H3 H -0.3646 1.1298 0.0073 0.021 Uiso 1 1 calc R
C4 C -0.5193(3) 1.2364(2) -0.04371(5) 0.0200(4) Uani 1 1 d .
H4 H -0.6385 1.1483 -0.0467 0.024 Uiso 1 1 calc R
C5 C -0.5082(3) 1.3802(2) -0.07286(5) 0.0190(4) Uani 1 1 d .
H5 H -0.6186 1.3855 -0.0951 0.023 Uiso 1 1 calc R
C6 C -0.3364(3) 1.5106(2) -0.06833(5) 0.0176(3) Uani 1 1 d .
H6 H -0.3306 1.6038 -0.0878 0.021 Uiso 1 1 d R
C7 C -0.1645(3) 1.5082(2) -0.03442(5) 0.0140(3) Uani 1 1 d .
C8 C -0.0072(3) 1.1964(2) 0.05812(5) 0.0193(4) Uani 1 1 d .
H8 H 0.0994 1.1001 0.0517 0.023 Uiso 1 1 calc R
C9 C -0.1416(3) 1.1807(2) 0.09196(5) 0.0194(4) Uani 1 1 d .
H9 H -0.2452 1.2790 0.0983 0.023 Uiso 1 1 calc R
C10 C -0.1500(3) 1.0274(2) 0.12137(5) 0.0155(3) Uani 1 1 d .
C11 C -0.3446(3) 1.0160(2) 0.15018(5) 0.0184(3) Uani 1 1 d .
H11 H -0.4643 1.1081 0.1511 0.022 Uiso 1 1 calc R
C12 C -0.3631(3) 0.8708(2) 0.17729(5) 0.0169(3) Uani 1 1 d .
H12 H -0.4947 0.8657 0.1960 0.020 Uiso 1 1 calc R
C13 C -0.1840(3) 0.7322(2) 0.17644(5) 0.0139(3) Uani 1 1 d .
C14 C 0.0127(3) 0.7419(2) 0.14858(5) 0.0161(3) Uani 1 1 d .
H14 H 0.1343 0.6510 0.1481 0.019 Uiso 1 1 calc R
C15 C 0.0270(3) 0.8878(2) 0.12137(5) 0.0165(3) Uani 1 1 d .
H15 H 0.1585 0.8924 0.1026 0.020 Uiso 1 1 calc R
C17 C -0.0436(3) 0.4449(2) 0.20306(5) 0.0171(3) Uani 1 1 d .
H17A H 0.1213 0.4879 0.2089 0.021 Uiso 1 1 calc R
H17B H -0.0423 0.3897 0.1755 0.021 Uiso 1 1 calc R
C18 C -0.1182(3) 0.3078(2) 0.23575(5) 0.0174(3) Uani 1 1 d .
H18A H -0.2816 0.2637 0.2292 0.021 Uiso 1 1 calc R
H18B H -0.1268 0.3660 0.2629 0.021 Uiso 1 1 calc R
C19 C 0.0658(3) 0.1486(2) 0.23760(5) 0.0165(3) Uani 1 1 d .
H19A H 0.2297 0.1940 0.2432 0.020 Uiso 1 1 calc R
H19B H 0.0711 0.0896 0.2105 0.020 Uiso 1 1 calc R
C20 C 0.0015(3) 0.0091(2) 0.27097(5) 0.0162(3) Uani 1 1 d .
H20A H -0.0061 0.0683 0.2980 0.019 Uiso 1 1 calc R
H20B H -0.1611 -0.0379 0.2651 0.019 Uiso 1 1 calc R
C21 C 0.1881(3) -0.1477(2) 0.27303(5) 0.0154(3) Uani 1 1 d .
H21A H 0.3513 -0.0998 0.2781 0.018 Uiso 1 1 calc R
H21B H 0.1924 -0.2082 0.2461 0.018 Uiso 1 1 calc R
C22 C 0.1321(3) -0.2868(2) 0.30689(5) 0.0163(3) Uani 1 1 d .
H22A H 0.1251 -0.2266 0.3338 0.020 Uiso 1 1 calc R
H22B H -0.0293 -0.3371 0.3016 0.020 Uiso 1 1 calc R
C23 C 0.3247(3) -0.4407(2) 0.30883(5) 0.0159(3) Uani 1 1 d .
H23A H 0.4858 -0.3902 0.3143 0.019 Uiso 1 1 calc R
H23B H 0.3326 -0.5000 0.2818 0.019 Uiso 1 1 calc R
C24 C 0.2695(3) -0.5815(2) 0.34235(5) 0.0165(3) Uani 1 1 d .
H24A H 0.2629 -0.5222 0.3694 0.020 Uiso 1 1 calc R
H24B H 0.1076 -0.6310 0.3370 0.020 Uiso 1 1 calc R
C25 C 0.4602(3) -0.7363(2) 0.34414(5) 0.0169(3) Uani 1 1 d .
H25A H 0.6221 -0.6867 0.3494 0.020 Uiso 1 1 calc R
H25B H 0.4663 -0.7958 0.3171 0.020 Uiso 1 1 calc R
C26 C 0.4059(3) -0.8770(2) 0.37775(5) 0.0171(3) Uani 1 1 d .
H26A H 0.3988 -0.8176 0.4048 0.021 Uiso 1 1 calc R
H26B H 0.2447 -0.9276 0.3724 0.021 Uiso 1 1 calc R
C27 C 0.5986(3) -1.0303(2) 0.37947(5) 0.0168(3) Uani 1 1 d .
H27A H 0.7595 -0.9794 0.3850 0.020 Uiso 1 1 calc R
H27B H 0.6068 -1.0886 0.3523 0.020 Uiso 1 1 calc R
C28 C 0.5460(3) -1.1732(2) 0.41268(5) 0.0173(3) Uani 1 1 d .
H28A H 0.5373 -1.1154 0.4399 0.021 Uiso 1 1 calc R
H28B H 0.3859 -1.2252 0.4071 0.021 Uiso 1 1 calc R
C29 C 0.7418(3) -1.3245(2) 0.41398(5) 0.0171(3) Uani 1 1 d .
H29A H 0.9018 -1.2719 0.4193 0.021 Uiso 1 1 calc R
H29B H 0.7500 -1.3820 0.3867 0.021 Uiso 1 1 calc R
C30 C 0.6943(3) -1.4689(2) 0.44703(5) 0.0178(3) Uani 1 1 d .
H30A H 0.6935 -1.4129 0.4745 0.021 Uiso 1 1 calc R
H30B H 0.5319 -1.5188 0.4424 0.021 Uiso 1 1 calc R
C31 C 0.8876(3) -1.6221(2) 0.44638(5) 0.0208(4) Uani 1 1 d .
H31A H 1.0495 -1.5721 0.4513 0.025 Uiso 1 1 calc R
H31B H 0.8898 -1.6766 0.4188 0.025 Uiso 1 1 calc R
C32 C 0.8407(4) -1.7690(2) 0.47887(6) 0.0296(4) Uani 1 1 d .
H32A H 0.6804 -1.8190 0.4743 0.044 Uiso 1 1 calc R
H32B H 0.8471 -1.7175 0.5064 0.044 Uiso 1 1 calc R
H32C H 0.9653 -1.8628 0.4763 0.044 Uiso 1 1 calc R
O1 O -0.2194(2) 0.59288(14) 0.20422(3) 0.0186(3) Uani 1 1 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'
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
C2 C1 C7 119.64(13) . 2_585
C2 C1 C8 120.50(14) . .
C7 C1 C8 119.79(14) 2_585 .
C1 C2 C3 121.76(14) . .
C1 C2 C7 120.27(14) . .
C3 C2 C7 117.96(14) . .
C4 C3 C2 121.57(15) . .
C4 C3 H3 119.2 . .
C2 C3 H3 119.2 . .
C3 C4 C5 120.35(15) . .
C3 C4 H4 119.8 . .
C5 C4 H4 119.8 . .
C6 C5 C4 120.11(15) . .
C6 C5 H5 119.9 . .
C4 C5 H5 119.9 . .
C5 C6 C7 121.73(15) . .
C5 C6 H6 119.2 . .
C7 C6 H6 119.1 . .
C1 C7 C6 121.64(14) 2_585 .
C1 C7 C2 120.10(14) 2_585 .
C6 C7 C2 118.26(14) . .
C9 C8 C1 126.36(15) . .
C9 C8 H8 116.8 . .
C1 C8 H8 116.8 . .
C8 C9 C10 128.38(15) . .
C8 C9 H9 115.8 . .
C10 C9 H9 115.8 . .
C15 C10 C11 117.36(13) . .
C15 C10 C9 122.61(14) . .
C11 C10 C9 120.01(14) . .
C12 C11 C10 121.58(14) . .
C12 C11 H11 119.2 . .
C10 C11 H11 119.2 . .
C11 C12 C13 119.87(14) . .
C11 C12 H12 120.1 . .
C13 C12 H12 120.1 . .
O1 C13 C14 124.71(13) . .
O1 C13 C12 115.68(13) . .
C14 C13 C12 119.60(13) . .
C13 C14 C15 119.70(14) . .
C13 C14 H14 120.1 . .
C15 C14 H14 120.1 . .
C14 C15 C10 121.88(14) . .
C14 C15 H15 119.1 . .
C10 C15 H15 119.1 . .
O1 C17 C18 108.16(12) . .
O1 C17 H17A 110.1 . .
C18 C17 H17A 110.1 . .
O1 C17 H17B 110.1 . .
C18 C17 H17B 110.1 . .
H17A C17 H17B 108.4 . .
C17 C18 C19 111.41(13) . .
C17 C18 H18A 109.3 . .
C19 C18 H18A 109.3 . .
C17 C18 H18B 109.3 . .
C19 C18 H18B 109.3 . .
H18A C18 H18B 108.0 . .
C18 C19 C20 113.23(13) . .
C18 C19 H19A 108.9 . .
C20 C19 H19A 108.9 . .
C18 C19 H19B 108.9 . .
C20 C19 H19B 108.9 . .
H19A C19 H19B 107.7 . .
C21 C20 C19 112.87(13) . .
C21 C20 H20A 109.0 . .
C19 C20 H20A 109.0 . .
C21 C20 H20B 109.0 . .
C19 C20 H20B 109.0 . .
H20A C20 H20B 107.8 . .
C20 C21 C22 114.02(13) . .
C20 C21 H21A 108.7 . .
C22 C21 H21A 108.7 . .
C20 C21 H21B 108.7 . .
C22 C21 H21B 108.7 . .
H21A C21 H21B 107.6 . .
C23 C22 C21 112.93(13) . .
C23 C22 H22A 109.0 . .
C21 C22 H22A 109.0 . .
C23 C22 H22B 109.0 . .
C21 C22 H22B 109.0 . .
H22A C22 H22B 107.8 . .
C22 C23 C24 113.40(13) . .
C22 C23 H23A 108.9 . .
C24 C23 H23A 108.9 . .
C22 C23 H23B 108.9 . .
C24 C23 H23B 108.9 . .
H23A C23 H23B 107.7 . .
C25 C24 C23 113.59(13) . .
C25 C24 H24A 108.8 . .
C23 C24 H24A 108.8 . .
C25 C24 H24B 108.8 . .
C23 C24 H24B 108.8 . .
H24A C24 H24B 107.7 . .
C24 C25 C26 113.70(13) . .
C24 C25 H25A 108.8 . .
C26 C25 H25A 108.8 . .
C24 C25 H25B 108.8 . .
C26 C25 H25B 108.8 . .
H25A C25 H25B 107.7 . .
C27 C26 C25 113.24(13) . .
C27 C26 H26A 108.9 . .
C25 C26 H26A 108.9 . .
C27 C26 H26B 108.9 . .
C25 C26 H26B 108.9 . .
H26A C26 H26B 107.7 . .
C26 C27 C28 113.94(13) . .
C26 C27 H27A 108.8 . .
C28 C27 H27A 108.8 . .
C26 C27 H27B 108.8 . .
C28 C27 H27B 108.8 . .
H27A C27 H27B 107.7 . .
C29 C28 C27 113.00(13) . .
C29 C28 H28A 109.0 . .
C27 C28 H28A 109.0 . .
C29 C28 H28B 109.0 . .
C27 C28 H28B 109.0 . .
H28A C28 H28B 107.8 . .
C28 C29 C30 114.10(13) . .
C28 C29 H29A 108.7 . .
C30 C29 H29A 108.7 . .
C28 C29 H29B 108.7 . .
C30 C29 H29B 108.7 . .
H29A C29 H29B 107.6 . .
C31 C30 C29 112.85(13) . .
C31 C30 H30A 109.0 . .
C29 C30 H30A 109.0 . .
C31 C30 H30B 109.0 . .
C29 C30 H30B 109.0 . .
H30A C30 H30B 107.8 . .
C30 C31 C32 113.51(14) . .
C30 C31 H31A 108.9 . .
C32 C31 H31A 108.9 . .
C30 C31 H31B 108.9 . .
C32 C31 H31B 108.9 . .
H31A C31 H31B 107.7 . .
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 . .
C13 O1 C17 117.07(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.408(2) .
C1 C7 1.410(2) 2_585
C1 C8 1.487(2) .
C2 C3 1.431(2) .
C2 C7 1.439(2) .
C3 C4 1.362(2) .
C3 H3 0.9300 .
C4 C5 1.416(2) .
C4 H4 0.9300 .
C5 C6 1.360(2) .
C5 H5 0.9300 .
C6 C7 1.428(2) .
C6 H6 0.9300 .
C7 C1 1.410(2) 2_585
C8 C9 1.308(2) .
C8 H8 0.9300 .
C9 C10 1.474(2) .
C9 H9 0.9300 .
C10 C15 1.393(2) .
C10 C11 1.400(2) .
C11 C12 1.384(2) .
C11 H11 0.9300 .
C12 C13 1.395(2) .
C12 H12 0.9300 .
C13 O1 1.3759(17) .
C13 C14 1.388(2) .
C14 C15 1.389(2) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C17 O1 1.4347(18) .
C17 C18 1.515(2) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 C19 1.527(2) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C20 1.528(2) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 C21 1.522(2) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 C22 1.527(2) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 C23 1.527(2) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 C24 1.527(2) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 C25 1.526(2) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 C26 1.528(2) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 C27 1.524(2) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 C28 1.528(2) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 C29 1.524(2) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 C30 1.527(2) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 C31 1.525(2) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 C32 1.527(2) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
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_4
C7 C1 C2 C3 -178.12(14) 2_585 .
C8 C1 C2 C3 4.8(2) . .
C7 C1 C2 C7 0.3(2) 2_585 .
C8 C1 C2 C7 -176.80(14) . .
C1 C2 C3 C4 178.35(15) . .
C7 C2 C3 C4 -0.1(2) . .
C2 C3 C4 C5 1.1(2) . .
C3 C4 C5 C6 -0.8(2) . .
C4 C5 C6 C7 -0.4(2) . .
C5 C6 C7 C1 -177.87(15) . 2_585
C5 C6 C7 C2 1.3(2) . .
C1 C2 C7 C1 -0.3(2) . 2_585
C3 C2 C7 C1 178.17(14) . 2_585
C1 C2 C7 C6 -179.55(14) . .
C3 C2 C7 C6 -1.1(2) . .
C2 C1 C8 C9 -89.3(2) . .
C7 C1 C8 C9 93.6(2) 2_585 .
C1 C8 C9 C10 178.96(15) . .
C8 C9 C10 C15 13.5(3) . .
C8 C9 C10 C11 -164.99(18) . .
C15 C10 C11 C12 -0.8(2) . .
C9 C10 C11 C12 177.74(15) . .
C10 C11 C12 C13 0.4(2) . .
C11 C12 C13 O1 -179.35(14) . .
C11 C12 C13 C14 0.5(2) . .
O1 C13 C14 C15 178.78(14) . .
C12 C13 C14 C15 -1.1(2) . .
C13 C14 C15 C10 0.7(2) . .
C11 C10 C15 C14 0.3(2) . .
C9 C10 C15 C14 -178.27(15) . .
O1 C17 C18 C19 -177.94(12) . .
C17 C18 C19 C20 178.51(13) . .
C18 C19 C20 C21 -179.12(13) . .
C19 C20 C21 C22 178.51(13) . .
C20 C21 C22 C23 -178.91(13) . .
C21 C22 C23 C24 -179.53(13) . .
C22 C23 C24 C25 179.49(13) . .
C23 C24 C25 C26 179.79(13) . .
C24 C25 C26 C27 -179.57(13) . .
C25 C26 C27 C28 -179.48(13) . .
C26 C27 C28 C29 -179.66(13) . .
C27 C28 C29 C30 179.78(13) . .
C28 C29 C30 C31 177.68(14) . .
C29 C30 C31 C32 -179.23(14) . .
C14 C13 O1 C17 -2.1(2) . .
C12 C13 O1 C17 177.73(13) . .
C18 C17 O1 C13 -179.70(12) . .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 101224459
