#------------------------------------------------------------------------------
#$Date: 2021-05-15 07:50:58 +0300 (Sat, 15 May 2021) $
#$Revision: 265247 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/24/38/2243834.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2243834
loop_
_publ_author_name
'Smirnov, Daniil E.'
'Tatarin, Sergei V.'
'Bezzubov, Stanislav I.'
_publ_section_title
;
 Synthesis and crystal structures of N-H, N-phenyl and
 N-benzyl-2-(4-hexyloxyphenyl)benzimidazoles
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              618
_journal_page_last               622
_journal_paper_doi               10.1107/S2056989021004898
_journal_volume                  77
_journal_year                    2021
_chemical_formula_iupac          'C25 H26 N2 O'
_chemical_formula_moiety         'C25 H26 N2 O'
_chemical_formula_sum            'C25 H26 N2 O'
_chemical_formula_weight         370.48
_chemical_name_systematic
;
2-(4-Hexyloxyphenyl)-1-phenyl-1H-benzimidazole
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     dual
_audit_creation_method
;
Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_cell_angle_alpha                90
_cell_angle_beta                 101.4190(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.0089(3)
_cell_length_b                   16.6539(5)
_cell_length_c                   13.8400(5)
_cell_measurement_reflns_used    6945
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      29.99
_cell_measurement_theta_min      2.45
_cell_volume                     2035.36(12)
_computing_cell_refinement
;
APEX3 (Bruker, 2016)
;
_computing_data_collection
;
APEX3 (Bruker, 2016)
;
_computing_data_reduction
;
SAINT (Bruker, 2016)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_structure_refinement
;
SHELXL2018/3 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT2014/5 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Bruker PHOTON III CMOS'
_diffrn_detector_area_resol_mean 10.4
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       '3-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       ω-scan
_diffrn_radiation_monochromator  'focusing mirrors'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0468
_diffrn_reflns_av_unetI/netI     0.0504
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            22388
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.517
_diffrn_reflns_theta_min         1.936
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.074
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6941
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2016)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.209
_exptl_crystal_description       block
_exptl_crystal_F_000             792
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.273
_refine_diff_density_min         -0.254
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     357
_refine_ls_number_reflns         6195
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0733
_refine_ls_R_factor_gt           0.0471
_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)+(0.0568P)²+0.2708P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1082
_refine_ls_wR_factor_ref         0.1192
_reflns_number_gt                4489
_reflns_number_total             6195
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            mw2176sup1.cif
_cod_data_source_block           2
_cod_database_code               2243834
_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   0.983
_shelx_estimated_absorpt_t_max   0.988
loop_
_space_group_symop_operation_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_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O O1 0.41962(10) 0.79543(5) 0.47354(6) 0.02038(19) Uani d 1 . .
N N2 0.36688(10) 0.42504(6) 0.31526(7) 0.0158(2) Uani d 1 . .
N N1 0.59290(11) 0.46364(6) 0.28508(7) 0.0175(2) Uani d 1 . .
C C1 0.56463(13) 0.38438(7) 0.25505(8) 0.0163(2) Uani d 1 . .
C C7 0.47394(12) 0.48562(7) 0.32094(8) 0.0153(2) Uani d 1 . .
C C18 0.36776(13) 0.65236(7) 0.48047(8) 0.0168(2) Uani d 1 . .
C C14 0.45784(12) 0.56503(7) 0.36379(8) 0.0158(2) Uani d 1 . .
C C17 0.43040(13) 0.71868(7) 0.44203(9) 0.0166(2) Uani d 1 . .
C C15 0.52509(13) 0.63193(7) 0.32834(9) 0.0177(2) Uani d 1 . .
C C8 0.22065(12) 0.42800(7) 0.34137(8) 0.0155(2) Uani d 1 . .
C C6 0.42416(13) 0.35920(7) 0.27312(8) 0.0162(2) Uani d 1 . .
C C19 0.38161(13) 0.57656(7) 0.44118(8) 0.0160(2) Uani d 1 . .
C C16 0.51118(13) 0.70773(7) 0.36634(9) 0.0180(2) Uani d 1 . .
C C9 0.19533(13) 0.38329(7) 0.42090(9) 0.0192(2) Uani d 1 . .
C C5 0.36509(14) 0.28298(7) 0.24870(9) 0.0201(2) Uani d 1 . .
C C11 -0.05825(14) 0.43579(7) 0.39489(9) 0.0215(3) Uani d 1 . .
C C2 0.65337(14) 0.33068(7) 0.21309(9) 0.0201(2) Uani d 1 . .
C C13 0.10770(13) 0.47566(7) 0.28723(9) 0.0200(2) Uani d 1 . .
C C4 0.45431(14) 0.23105(8) 0.20649(9) 0.0218(3) Uani d 1 . .
C C3 0.59663(14) 0.25456(8) 0.18966(9) 0.0216(3) Uani d 1 . .
C C10 0.05474(14) 0.38751(8) 0.44755(9) 0.0224(3) Uani d 1 . .
C C12 -0.03216(14) 0.47956(8) 0.31463(9) 0.0224(3) Uani d 1 . .
C C20 0.32560(15) 0.80774(7) 0.54534(9) 0.0211(2) Uani d 1 . .
C C23 0.23511(16) 1.03530(7) 0.50281(9) 0.0234(3) Uani d 1 . .
C C21 0.32315(16) 0.89670(8) 0.56663(9) 0.0237(3) Uani d 1 . .
C C22 0.24677(16) 0.94655(8) 0.47849(9) 0.0244(3) Uani d 1 . .
C C24 0.15475(17) 1.08422(8) 0.41511(10) 0.0268(3) Uani d 1 . .
C C25 0.1401(2) 1.17278(8) 0.43819(11) 0.0314(3) Uani d 1 . .
H H15 0.5791(15) 0.6253(8) 0.2753(10) 0.020(3) Uiso d 1 . .
H H20A 0.2200(16) 0.7877(8) 0.5168(10) 0.020(3) Uiso d 1 . .
H H18 0.3139(15) 0.6582(8) 0.5347(10) 0.017(3) Uiso d 1 . .
H H10 0.0330(17) 0.3558(9) 0.5043(12) 0.033(4) Uiso d 1 . .
H H19 0.3366(14) 0.5308(8) 0.4683(10) 0.016(3) Uiso d 1 . .
H H20B 0.3691(16) 0.7754(8) 0.6061(11) 0.025(4) Uiso d 1 . .
H H21A 0.2665(18) 0.9038(9) 0.6220(12) 0.032(4) Uiso d 1 . .
H H22A 0.3029(18) 0.9409(9) 0.4231(13) 0.039(4) Uiso d 1 . .
H H23A 0.3409(17) 1.0592(8) 0.5256(11) 0.024(4) Uiso d 1 . .
H H9 0.2784(16) 0.3505(8) 0.4602(11) 0.025(4) Uiso d 1 . .
H H12 -0.1128(17) 0.5134(9) 0.2784(12) 0.030(4) Uiso d 1 . .
H H4 0.4210(16) 0.1761(9) 0.1892(11) 0.028(4) Uiso d 1 . .
H H13 0.1299(15) 0.5066(8) 0.2297(11) 0.025(4) Uiso d 1 . .
H H22B 0.1433(19) 0.9249(9) 0.4523(12) 0.034(4) Uiso d 1 . .
H H23B 0.1808(17) 1.0410(9) 0.5594(12) 0.031(4) Uiso d 1 . .
H H2 0.7493(17) 0.3472(9) 0.1987(11) 0.029(4) Uiso d 1 . .
H H21B 0.4285(17) 0.9151(8) 0.5899(11) 0.029(4) Uiso d 1 . .
H H5 0.2680(16) 0.2683(8) 0.2613(10) 0.018(3) Uiso d 1 . .
H H24A 0.0477(19) 1.0608(9) 0.3914(12) 0.040(5) Uiso d 1 . .
H H24B 0.209(2) 1.0783(9) 0.3595(14) 0.044(5) Uiso d 1 . .
H H3 0.6594(16) 0.2171(8) 0.1605(11) 0.023(4) Uiso d 1 . .
H H11 -0.1567(16) 0.4405(8) 0.4156(10) 0.023(4) Uiso d 1 . .
H H16 0.5570(16) 0.7553(9) 0.3410(11) 0.026(4) Uiso d 1 . .
H H25A 0.0885(17) 1.2038(9) 0.3793(12) 0.032(4) Uiso d 1 . .
H H25B 0.0814(19) 1.1804(10) 0.4929(13) 0.045(5) Uiso d 1 . .
H H25C 0.243(2) 1.1968(11) 0.4611(14) 0.054(5) Uiso d 1 . .
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C17 O1 C20 . . 116.33(9) ?
C7 N2 C8 . . 128.59(9) ?
C7 N2 C6 . . 106.62(9) ?
C6 N2 C8 . . 124.70(9) ?
C7 N1 C1 . . 105.14(9) ?
N1 C1 C6 . . 110.40(9) ?
N1 C1 C2 . . 130.08(11) ?
C2 C1 C6 . . 119.52(11) ?
N2 C7 C14 . . 123.70(10) ?
N1 C7 N2 . . 112.61(10) ?
N1 C7 C14 . . 123.69(10) ?
C17 C18 H18 . . 121.0(8) ?
C19 C18 C17 . . 119.75(10) ?
C19 C18 H18 . . 119.2(8) ?
C15 C14 C7 . . 119.35(10) ?
C19 C14 C7 . . 122.48(10) ?
C19 C14 C15 . . 118.14(10) ?
O1 C17 C18 . . 124.23(10) ?
O1 C17 C16 . . 116.29(10) ?
C18 C17 C16 . . 119.48(10) ?
C14 C15 H15 . . 119.5(8) ?
C16 C15 C14 . . 120.95(11) ?
C16 C15 H15 . . 119.5(8) ?
C9 C8 N2 . . 119.07(10) ?
C9 C8 C13 . . 121.22(10) ?
C13 C8 N2 . . 119.71(10) ?
N2 C6 C1 . . 105.22(9) ?
N2 C6 C5 . . 131.77(11) ?
C5 C6 C1 . . 123.00(10) ?
C18 C19 C14 . . 121.42(11) ?
C18 C19 H19 . . 119.0(8) ?
C14 C19 H19 . . 119.6(8) ?
C17 C16 H16 . . 118.4(8) ?
C15 C16 C17 . . 120.20(11) ?
C15 C16 H16 . . 121.4(8) ?
C8 C9 C10 . . 119.09(11) ?
C8 C9 H9 . . 120.3(8) ?
C10 C9 H9 . . 120.6(8) ?
C6 C5 H5 . . 120.6(8) ?
C4 C5 C6 . . 116.46(11) ?
C4 C5 H5 . . 123.0(8) ?
C10 C11 C12 . . 120.19(11) ?
C10 C11 H11 . . 120.1(8) ?
C12 C11 H11 . . 119.7(8) ?
C1 C2 H2 . . 120.8(9) ?
C3 C2 C1 . . 117.94(11) ?
C3 C2 H2 . . 121.2(9) ?
C8 C13 H13 . . 118.9(8) ?
C12 C13 C8 . . 119.19(11) ?
C12 C13 H13 . . 121.9(8) ?
C5 C4 C3 . . 121.40(12) ?
C5 C4 H4 . . 120.8(8) ?
C3 C4 H4 . . 117.8(8) ?
C2 C3 C4 . . 121.66(11) ?
C2 C3 H3 . . 117.6(8) ?
C4 C3 H3 . . 120.7(8) ?
C9 C10 H10 . . 120.9(9) ?
C11 C10 C9 . . 120.20(11) ?
C11 C10 H10 . . 118.9(9) ?
C11 C12 C13 . . 120.09(11) ?
C11 C12 H12 . . 119.2(9) ?
C13 C12 H12 . . 120.7(9) ?
O1 C20 C21 . . 107.87(10) ?
O1 C20 H20A . . 108.6(8) ?
O1 C20 H20B . . 108.3(8) ?
C21 C20 H20A . . 110.5(8) ?
C21 C20 H20B . . 112.2(8) ?
H20A C20 H20B . . 109.2(11) ?
C22 C23 H23A . . 110.2(8) ?
C22 C23 H23B . . 109.2(8) ?
C24 C23 C22 . . 112.71(11) ?
C24 C23 H23A . . 107.7(8) ?
C24 C23 H23B . . 110.0(9) ?
H23A C23 H23B . . 106.8(12) ?
C20 C21 C22 . . 113.57(11) ?
C20 C21 H21A . . 107.0(8) ?
C20 C21 H21B . . 108.5(8) ?
C22 C21 H21A . . 109.2(9) ?
C22 C21 H21B . . 110.2(9) ?
H21A C21 H21B . . 108.3(12) ?
C23 C22 H22A . . 109.1(9) ?
C23 C22 H22B . . 109.3(9) ?
C21 C22 C23 . . 113.07(11) ?
C21 C22 H22A . . 110.2(9) ?
C21 C22 H22B . . 109.6(9) ?
H22A C22 H22B . . 105.3(13) ?
C23 C24 H24A . . 108.6(9) ?
C23 C24 H24B . . 109.5(10) ?
C25 C24 C23 . . 113.54(11) ?
C25 C24 H24A . . 108.6(9) ?
C25 C24 H24B . . 109.5(9) ?
H24A C24 H24B . . 106.9(13) ?
C24 C25 H25A . . 112.1(9) ?
C24 C25 H25B . . 111.0(9) ?
C24 C25 H25C . . 110.0(10) ?
H25A C25 H25B . . 108.5(13) ?
H25A C25 H25C . . 107.6(13) ?
H25B C25 H25C . . 107.5(14) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
O1 C17 . 1.3602(13) ?
O1 C20 . 1.4423(14) ?
N2 C7 . 1.3872(14) ?
N2 C8 . 1.4342(14) ?
N2 C6 . 1.3884(14) ?
N1 C1 . 1.3921(15) ?
N1 C7 . 1.3189(14) ?
C1 C6 . 1.4019(16) ?
C1 C2 . 1.4000(16) ?
C7 C14 . 1.4683(15) ?
C18 C17 . 1.3930(16) ?
C18 C19 . 1.3899(16) ?
C18 H18 . 0.976(13) ?
C14 C15 . 1.4025(16) ?
C14 C19 . 1.3954(16) ?
C17 C16 . 1.4007(16) ?
C15 C16 . 1.3826(16) ?
C15 H15 . 0.964(14) ?
C8 C9 . 1.3847(16) ?
C8 C13 . 1.3874(16) ?
C6 C5 . 1.3920(17) ?
C19 H19 . 0.972(13) ?
C16 H16 . 0.989(15) ?
C9 C10 . 1.3893(17) ?
C9 H9 . 0.996(14) ?
C5 C4 . 1.3861(17) ?
C5 H5 . 0.957(14) ?
C11 C10 . 1.3857(17) ?
C11 C12 . 1.3869(17) ?
C11 H11 . 0.988(14) ?
C2 C3 . 1.3812(18) ?
C2 H2 . 0.964(15) ?
C13 C12 . 1.3874(16) ?
C13 H13 . 1.002(15) ?
C4 C3 . 1.4034(18) ?
C4 H4 . 0.978(14) ?
C3 H3 . 0.981(14) ?
C10 H10 . 0.997(15) ?
C12 H12 . 0.976(15) ?
C20 C21 . 1.5115(17) ?
C20 H20A . 1.011(14) ?
C20 H20B . 1.010(14) ?
C23 C22 . 1.5241(17) ?
C23 C24 . 1.5209(18) ?
C23 H23A . 1.023(15) ?
C23 H23B . 1.007(16) ?
C21 C22 . 1.5226(18) ?
C21 H21A . 1.008(16) ?
C21 H21B . 0.989(15) ?
C22 H22A . 1.002(17) ?
C22 H22B . 0.999(17) ?
C24 C25 . 1.5204(18) ?
C24 H24A . 1.032(17) ?
C24 H24B . 0.998(18) ?
C25 H25A . 0.999(16) ?
C25 H25B . 1.014(18) ?
C25 H25C . 1.000(19) ?
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O1 C17 C16 C15 . . . . -178.63(10) ?
O1 C20 C21 C22 . . . . 65.39(14) ?
N2 C7 C14 C15 . . . . -150.27(11) ?
N2 C7 C14 C19 . . . . 31.78(17) ?
N2 C8 C9 C10 . . . . 178.61(11) ?
N2 C8 C13 C12 . . . . -178.46(11) ?
N2 C6 C5 C4 . . . . 179.78(12) ?
N1 C1 C6 N2 . . . . -0.11(12) ?
N1 C1 C6 C5 . . . . 178.73(11) ?
N1 C1 C2 C3 . . . . -179.72(12) ?
N1 C7 C14 C15 . . . . 30.87(16) ?
N1 C7 C14 C19 . . . . -147.09(11) ?
C1 N1 C7 N2 . . . . -0.66(13) ?
C1 N1 C7 C14 . . . . 178.32(10) ?
C1 C6 C5 C4 . . . . 1.28(18) ?
C1 C2 C3 C4 . . . . 0.32(18) ?
C7 N2 C8 C9 . . . . -112.83(13) ?
C7 N2 C8 C13 . . . . 66.81(16) ?
C7 N2 C6 C1 . . . . -0.28(12) ?
C7 N2 C6 C5 . . . . -178.97(12) ?
C7 N1 C1 C6 . . . . 0.47(13) ?
C7 N1 C1 C2 . . . . -178.88(12) ?
C7 C14 C15 C16 . . . . 179.44(11) ?
C7 C14 C19 C18 . . . . -179.95(10) ?
C18 C17 C16 C15 . . . . 1.73(17) ?
C14 C15 C16 C17 . . . . 0.65(18) ?
C17 O1 C20 C21 . . . . -177.40(10) ?
C17 C18 C19 C14 . . . . 0.26(17) ?
C15 C14 C19 C18 . . . . 2.07(17) ?
C8 N2 C7 N1 . . . . -176.10(10) ?
C8 N2 C7 C14 . . . . 4.92(18) ?
C8 N2 C6 C1 . . . . 176.60(10) ?
C8 N2 C6 C5 . . . . -2.10(19) ?
C8 C9 C10 C11 . . . . 0.10(19) ?
C8 C13 C12 C11 . . . . -0.39(19) ?
C6 N2 C7 N1 . . . . 0.61(13) ?
C6 N2 C7 C14 . . . . -178.37(10) ?
C6 N2 C8 C9 . . . . 71.01(15) ?
C6 N2 C8 C13 . . . . -109.35(13) ?
C6 C1 C2 C3 . . . . 0.98(17) ?
C6 C5 C4 C3 . . . . 0.08(18) ?
C19 C18 C17 O1 . . . . 178.21(10) ?
C19 C18 C17 C16 . . . . -2.17(17) ?
C19 C14 C15 C16 . . . . -2.51(17) ?
C9 C8 C13 C12 . . . . 1.17(18) ?
C5 C4 C3 C2 . . . . -0.88(19) ?
C2 C1 C6 N2 . . . . 179.31(10) ?
C2 C1 C6 C5 . . . . -1.85(18) ?
C13 C8 C9 C10 . . . . -1.03(18) ?
C10 C11 C12 C13 . . . . -0.5(2) ?
C12 C11 C10 C9 . . . . 0.7(2) ?
C20 O1 C17 C18 . . . . -5.57(16) ?
C20 O1 C17 C16 . . . . 174.80(10) ?
C20 C21 C22 C23 . . . . 175.95(12) ?
C22 C23 C24 C25 . . . . 179.25(13) ?
C24 C23 C22 C21 . . . . -178.39(12) ?

_cod_database_fobs_code 2243834
