#------------------------------------------------------------------------------
#$Date: 2017-10-13 11:42:48 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201978 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/22/84/2228457.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_2228457
loop_
_publ_author_name
'Zhang, Xiao-Meng'
'Zhang, Cang'
'Zhang, Wen-Ping'
'Liu, Xiao-Rong'
_publ_section_title
;
 4-(3-Fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazole
;
_journal_coeditor_code           LH5129
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o3084
_journal_paper_doi               10.1107/S160053681004465X
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'C26 H25 F N2 O5'
_chemical_formula_moiety         'C26 H25 F N2 O5'
_chemical_formula_sum            'C26 H25 F N2 O5'
_chemical_formula_weight         464.48
_chemical_name_systematic
;
4-(3-Fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-
1H-imidazole
;
_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                104.76(3)
_cell_angle_beta                 109.81(3)
_cell_angle_gamma                91.45(3)
_cell_formula_units_Z            2
_cell_length_a                   9.795(2)
_cell_length_b                   10.202(2)
_cell_length_c                   13.008(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      13
_cell_measurement_theta_min      9
_cell_volume                     1173.7(5)
_computing_cell_refinement       'CAD-4 EXPRESS (Enraf--Nonius, 1994)'
_computing_data_collection       'CAD-4 EXPRESS (Enraf--Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       ω/-2θ
_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  0.0235
_diffrn_reflns_av_sigmaI/netI    0.0408
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4540
_diffrn_reflns_theta_full        25.28
_diffrn_reflns_theta_max         25.28
_diffrn_reflns_theta_min         1.73
_diffrn_standards_decay_%        1
_diffrn_standards_interval_count 200
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.097
_exptl_absorpt_correction_T_max  0.9809
_exptl_absorpt_correction_T_min  0.9716
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.314
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             488
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.232
_refine_diff_density_min         -0.243
_refine_ls_extinction_coef       0.063(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     308
_refine_ls_number_reflns         4269
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0926
_refine_ls_R_factor_gt           0.0555
_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)+(0.0700P)²+1.1000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1315
_refine_ls_wR_factor_ref         0.1778
_reflns_number_gt                2838
_reflns_number_total             4269
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            lh5129.cif
_cod_data_source_block           I
_cod_original_cell_volume        1173.7(4)
_cod_database_code               2228457
_cod_database_fobs_code          2228457
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
F F -0.1298(3) 0.7973(2) -0.06705(17) 0.0787(7) Uani d . 1 . .
N N1 0.2523(3) 0.9865(2) 0.5152(2) 0.0456(6) Uani d . 1 . .
O O1 0.5861(3) 1.1432(3) 0.9767(2) 0.0814(8) Uani d . 1 . .
C C1 0.5238(6) 1.2059(5) 1.0579(3) 0.0915(14) Uani d . 1 . .
H H1A 0.5975 1.2293 1.1327 0.137 Uiso calc R 1 . .
H H1B 0.4460 1.1437 1.0543 0.137 Uiso calc R 1 . .
H H1C 0.4859 1.2872 1.0417 0.137 Uiso calc R 1 . .
N N2 0.1490(3) 1.0175(2) 0.3441(2) 0.0504(7) Uani d . 1 . .
O O2 -0.2366(3) 0.5452(3) -0.0943(2) 0.0697(7) Uani d . 1 . .
C C2 0.4976(4) 1.1028(3) 0.8645(3) 0.0549(8) Uani d . 1 . .
O O3 0.3163(3) 0.3936(2) 0.44874(19) 0.0619(7) Uani d . 1 . .
C C3 0.5629(4) 1.0514(4) 0.7881(3) 0.0702(11) Uani d . 1 . .
H H3A 0.6625 1.0436 0.8141 0.084 Uiso calc R 1 . .
O O4 0.2214(3) 0.4035(2) 0.61811(19) 0.0558(6) Uani d . 1 . .
C C4 0.4832(4) 1.0104(4) 0.6723(3) 0.0607(9) Uani d . 1 . .
H H4A 0.5287 0.9753 0.6207 0.073 Uiso calc R 1 . .
O O5 0.1123(3) 0.6229(2) 0.7079(2) 0.0610(7) Uani d . 1 . .
C C5 0.3357(3) 1.0222(3) 0.6343(3) 0.0447(7) Uani d . 1 . .
C C6 0.2704(4) 1.0724(3) 0.7116(3) 0.0544(8) Uani d . 1 . .
H H6A 0.1707 1.0795 0.6861 0.065 Uiso calc R 1 . .
C C7 0.3502(4) 1.1125(3) 0.8265(3) 0.0575(9) Uani d . 1 . .
H H7A 0.3046 1.1462 0.8782 0.069 Uiso calc R 1 . .
C C8 0.1876(3) 0.8580(3) 0.4414(2) 0.0423(7) Uani d . 1 . .
C C9 0.1239(3) 0.8803(3) 0.3364(3) 0.0429(7) Uani d . 1 . .
C C10 0.2242(4) 1.0762(3) 0.4503(3) 0.0520(8) Uani d . 1 . .
H H10A 0.2557 1.1694 0.4795 0.062 Uiso calc R 1 . .
C C11 0.0325(3) 0.7870(3) 0.2272(3) 0.0432(7) Uani d . 1 . .
C C12 -0.0271(4) 0.6560(3) 0.2128(3) 0.0491(8) Uani d . 1 . .
H H12A -0.0059 0.6230 0.2762 0.059 Uiso calc R 1 . .
C C13 -0.1153(4) 0.5736(3) 0.1099(3) 0.0552(8) Uani d . 1 . .
H H13A -0.1527 0.4864 0.1045 0.066 Uiso calc R 1 . .
C C14 -0.1503(4) 0.6184(3) 0.0124(3) 0.0528(8) Uani d . 1 . .
C C15 -0.0923(4) 0.7503(3) 0.0273(3) 0.0516(8) Uani d . 1 . .
C C16 -0.0043(4) 0.8328(3) 0.1282(3) 0.0482(8) Uani d . 1 . .
H H16A 0.0325 0.9199 0.1331 0.058 Uiso calc R 1 . .
C C17 -0.2849(5) 0.4069(4) -0.1106(3) 0.0742(11) Uani d . 1 . .
H H17A -0.3444 0.3664 -0.1890 0.111 Uiso calc R 1 . .
H H17B -0.3412 0.4023 -0.0636 0.111 Uiso calc R 1 . .
H H17C -0.2018 0.3582 -0.0901 0.111 Uiso calc R 1 . .
C C18 0.1942(3) 0.7367(3) 0.4859(2) 0.0424(7) Uani d . 1 . .
C C19 0.1424(3) 0.7387(3) 0.5724(3) 0.0464(7) Uani d . 1 . .
H H19A 0.0995 0.8133 0.5999 0.056 Uiso calc R 1 . .
C C20 0.1548(3) 0.6278(3) 0.6190(3) 0.0455(7) Uani d . 1 . .
C C21 0.2126(3) 0.5149(3) 0.5745(3) 0.0444(7) Uani d . 1 . .
C C22 0.2609(3) 0.5107(3) 0.4851(3) 0.0457(7) Uani d . 1 . .
C C23 0.2545(3) 0.6233(3) 0.4415(3) 0.0451(7) Uani d . 1 . .
H H23A 0.2901 0.6227 0.3836 0.054 Uiso calc R 1 . .
C C24 0.3521(5) 0.3753(4) 0.3498(3) 0.0719(11) Uani d . 1 . .
H H24A 0.3897 0.2894 0.3341 0.108 Uiso calc R 1 . .
H H24B 0.4248 0.4480 0.3616 0.108 Uiso calc R 1 . .
H H24C 0.2661 0.3761 0.2865 0.108 Uiso calc R 1 . .
C C25 0.3515(5) 0.4118(4) 0.7100(3) 0.0786(12) Uani d . 1 . .
H H25A 0.3507 0.3318 0.7359 0.118 Uiso calc R 1 . .
H H25B 0.3595 0.4915 0.7708 0.118 Uiso calc R 1 . .
H H25C 0.4334 0.4176 0.6859 0.118 Uiso calc R 1 . .
C C26 0.0553(5) 0.7381(4) 0.7569(4) 0.0830(13) Uani d . 1 . .
H H26A 0.0299 0.7219 0.8181 0.125 Uiso calc R 1 . .
H H26B -0.0302 0.7540 0.7002 0.125 Uiso calc R 1 . .
H H26C 0.1276 0.8166 0.7858 0.125 Uiso calc R 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'
F F 0.0171 0.0103 '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
C10 N1 C8 . . 106.4(2) ?
C10 N1 C5 . . 124.9(3) ?
C8 N1 C5 . . 128.6(2) ?
C2 O1 C1 . . 118.1(3) ?
O1 C1 H1A . . 109.5 ?
O1 C1 H1B . . 109.5 ?
H1A C1 H1B . . 109.5 ?
O1 C1 H1C . . 109.5 ?
H1A C1 H1C . . 109.5 ?
H1B C1 H1C . . 109.5 ?
C10 N2 C9 . . 105.5(2) ?
C14 O2 C17 . . 117.4(3) ?
C3 C2 O1 . . 116.5(3) ?
C3 C2 C7 . . 119.7(3) ?
O1 C2 C7 . . 123.8(3) ?
C22 O3 C24 . . 118.2(2) ?
C2 C3 C4 . . 120.9(3) ?
C2 C3 H3A . . 119.5 ?
C4 C3 H3A . . 119.5 ?
C21 O4 C25 . . 113.7(2) ?
C5 C4 C3 . . 119.3(3) ?
C5 C4 H4A . . 120.4 ?
C3 C4 H4A . . 120.4 ?
C20 O5 C26 . . 117.6(3) ?
C6 C5 C4 . . 119.5(3) ?
C6 C5 N1 . . 120.1(3) ?
C4 C5 N1 . . 120.4(3) ?
C5 C6 C7 . . 120.9(3) ?
C5 C6 H6A . . 119.6 ?
C7 C6 H6A . . 119.6 ?
C2 C7 C6 . . 119.7(3) ?
C2 C7 H7A . . 120.1 ?
C6 C7 H7A . . 120.1 ?
C9 C8 N1 . . 104.9(2) ?
C9 C8 C18 . . 134.8(3) ?
N1 C8 C18 . . 120.2(3) ?
C8 C9 N2 . . 110.4(3) ?
C8 C9 C11 . . 130.6(3) ?
N2 C9 C11 . . 118.9(3) ?
N2 C10 N1 . . 112.8(3) ?
N2 C10 H10A . . 123.6 ?
N1 C10 H10A . . 123.6 ?
C12 C11 C16 . . 116.3(3) ?
C12 C11 C9 . . 124.6(3) ?
C16 C11 C9 . . 119.0(3) ?
C13 C12 C11 . . 122.8(3) ?
C13 C12 H12A . . 118.6 ?
C11 C12 H12A . . 118.6 ?
C12 C13 C14 . . 120.7(3) ?
C12 C13 H13A . . 119.6 ?
C14 C13 H13A . . 119.6 ?
O2 C14 C15 . . 117.8(3) ?
O2 C14 C13 . . 125.8(3) ?
C15 C14 C13 . . 116.4(3) ?
C16 C15 F . . 119.4(3) ?
C16 C15 C14 . . 123.6(3) ?
F C15 C14 . . 117.0(3) ?
C15 C16 C11 . . 120.1(3) ?
C15 C16 H16A . . 120.0 ?
C11 C16 H16A . . 120.0 ?
O2 C17 H17A . . 109.5 ?
O2 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
O2 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
C19 C18 C23 . . 120.5(3) ?
C19 C18 C8 . . 119.3(3) ?
C23 C18 C8 . . 120.1(3) ?
C18 C19 C20 . . 119.9(3) ?
C18 C19 H19A . . 120.1 ?
C20 C19 H19A . . 120.1 ?
O5 C20 C21 . . 116.2(3) ?
O5 C20 C19 . . 124.1(3) ?
C21 C20 C19 . . 119.7(3) ?
C20 C21 O4 . . 120.0(3) ?
C20 C21 C22 . . 120.6(3) ?
O4 C21 C22 . . 119.4(3) ?
O3 C22 C21 . . 115.0(3) ?
O3 C22 C23 . . 125.1(3) ?
C21 C22 C23 . . 119.8(3) ?
C18 C23 C22 . . 119.3(3) ?
C18 C23 H23A . . 120.3 ?
C22 C23 H23A . . 120.3 ?
O3 C24 H24A . . 109.5 ?
O3 C24 H24B . . 109.5 ?
H24A C24 H24B . . 109.5 ?
O3 C24 H24C . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
O4 C25 H25A . . 109.5 ?
O4 C25 H25B . . 109.5 ?
H25A C25 H25B . . 109.5 ?
O4 C25 H25C . . 109.5 ?
H25A C25 H25C . . 109.5 ?
H25B C25 H25C . . 109.5 ?
O5 C26 H26A . . 109.5 ?
O5 C26 H26B . . 109.5 ?
H26A C26 H26B . . 109.5 ?
O5 C26 H26C . . 109.5 ?
H26A C26 H26C . . 109.5 ?
H26B C26 H26C . . 109.5 ?
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
F C15 . 1.369(3) ?
N1 C10 . 1.369(4) ?
N1 C8 . 1.395(4) ?
N1 C5 . 1.429(4) ?
O1 C2 . 1.367(4) ?
O1 C1 . 1.418(5) ?
C1 H1A . 0.9600 ?
C1 H1B . 0.9600 ?
C1 H1C . 0.9600 ?
N2 C10 . 1.295(4) ?
N2 C9 . 1.388(4) ?
O2 C14 . 1.358(4) ?
O2 C17 . 1.417(4) ?
C2 C3 . 1.361(5) ?
C2 C7 . 1.374(5) ?
O3 C22 . 1.365(4) ?
O3 C24 . 1.415(4) ?
C3 C4 . 1.385(5) ?
C3 H3A . 0.9300 ?
O4 C21 . 1.386(3) ?
O4 C25 . 1.404(4) ?
C4 C5 . 1.380(5) ?
C4 H4A . 0.9300 ?
O5 C20 . 1.366(4) ?
O5 C26 . 1.411(4) ?
C5 C6 . 1.367(4) ?
C6 C7 . 1.376(5) ?
C6 H6A . 0.9300 ?
C7 H7A . 0.9300 ?
C8 C9 . 1.377(4) ?
C8 C18 . 1.488(4) ?
C9 C11 . 1.459(4) ?
C10 H10A . 0.9300 ?
C11 C12 . 1.387(4) ?
C11 C16 . 1.416(4) ?
C12 C13 . 1.360(4) ?
C12 H12A . 0.9300 ?
C13 C14 . 1.394(4) ?
C13 H13A . 0.9300 ?
C14 C15 . 1.387(5) ?
C15 C16 . 1.345(5) ?
C16 H16A . 0.9300 ?
C17 H17A . 0.9600 ?
C17 H17B . 0.9600 ?
C17 H17C . 0.9600 ?
C18 C19 . 1.379(4) ?
C18 C23 . 1.395(4) ?
C19 C20 . 1.403(4) ?
C19 H19A . 0.9300 ?
C20 C21 . 1.377(4) ?
C21 C22 . 1.389(4) ?
C22 C23 . 1.398(4) ?
C23 H23A . 0.9300 ?
C24 H24A . 0.9600 ?
C24 H24B . 0.9600 ?
C24 H24C . 0.9600 ?
C25 H25A . 0.9600 ?
C25 H25B . 0.9600 ?
C25 H25C . 0.9600 ?
C26 H26A . 0.9600 ?
C26 H26B . 0.9600 ?
C26 H26C . 0.9600 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C10 H10A O3 1_565 0.93 2.51 3.346(4) 150
C26 H26A F 1_556 0.96 2.52 3.326(6) 142
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
C1 O1 C2 C3 . . . . 175.7(4) ?
C1 O1 C2 C7 . . . . -3.7(5) ?
O1 C2 C3 C4 . . . . -178.6(3) ?
C7 C2 C3 C4 . . . . 0.9(6) ?
C2 C3 C4 C5 . . . . 0.1(6) ?
C3 C4 C5 C6 . . . . -0.9(5) ?
C3 C4 C5 N1 . . . . 177.2(3) ?
C10 N1 C5 C6 . . . . 83.9(4) ?
C8 N1 C5 C6 . . . . -97.9(4) ?
C10 N1 C5 C4 . . . . -94.1(4) ?
C8 N1 C5 C4 . . . . 84.1(4) ?
C4 C5 C6 C7 . . . . 0.7(5) ?
N1 C5 C6 C7 . . . . -177.3(3) ?
C3 C2 C7 C6 . . . . -1.1(5) ?
O1 C2 C7 C6 . . . . 178.4(3) ?
C5 C6 C7 C2 . . . . 0.3(5) ?
C10 N1 C8 C9 . . . . -0.3(3) ?
C5 N1 C8 C9 . . . . -178.7(3) ?
C10 N1 C8 C18 . . . . -178.2(3) ?
C5 N1 C8 C18 . . . . 3.4(5) ?
N1 C8 C9 N2 . . . . 0.5(3) ?
C18 C8 C9 N2 . . . . 177.9(3) ?
N1 C8 C9 C11 . . . . -175.5(3) ?
C18 C8 C9 C11 . . . . 2.0(6) ?
C10 N2 C9 C8 . . . . -0.5(4) ?
C10 N2 C9 C11 . . . . 176.0(3) ?
C9 N2 C10 N1 . . . . 0.4(4) ?
C8 N1 C10 N2 . . . . -0.1(4) ?
C5 N1 C10 N2 . . . . 178.5(3) ?
C8 C9 C11 C12 . . . . 10.4(5) ?
N2 C9 C11 C12 . . . . -165.3(3) ?
C8 C9 C11 C16 . . . . -172.2(3) ?
N2 C9 C11 C16 . . . . 12.1(4) ?
C16 C11 C12 C13 . . . . 0.6(5) ?
C9 C11 C12 C13 . . . . 178.1(3) ?
C11 C12 C13 C14 . . . . 0.0(5) ?
C17 O2 C14 C15 . . . . 174.6(3) ?
C17 O2 C14 C13 . . . . -6.2(5) ?
C12 C13 C14 O2 . . . . 179.9(3) ?
C12 C13 C14 C15 . . . . -1.0(5) ?
O2 C14 C15 C16 . . . . -179.3(3) ?
C13 C14 C15 C16 . . . . 1.4(5) ?
O2 C14 C15 F . . . . 1.4(5) ?
C13 C14 C15 F . . . . -177.9(3) ?
F C15 C16 C11 . . . . 178.4(3) ?
C14 C15 C16 C11 . . . . -0.9(5) ?
C12 C11 C16 C15 . . . . -0.1(4) ?
C9 C11 C16 C15 . . . . -177.8(3) ?
C9 C8 C18 C19 . . . . -121.5(4) ?
N1 C8 C18 C19 . . . . 55.6(4) ?
C9 C8 C18 C23 . . . . 59.6(5) ?
N1 C8 C18 C23 . . . . -123.3(3) ?
C23 C18 C19 C20 . . . . 2.1(5) ?
C8 C18 C19 C20 . . . . -176.8(3) ?
C26 O5 C20 C21 . . . . 178.7(3) ?
C26 O5 C20 C19 . . . . -1.3(5) ?
C18 C19 C20 O5 . . . . 177.2(3) ?
C18 C19 C20 C21 . . . . -2.9(5) ?
O5 C20 C21 O4 . . . . 1.7(4) ?
C19 C20 C21 O4 . . . . -178.2(3) ?
O5 C20 C21 C22 . . . . -179.1(3) ?
C19 C20 C21 C22 . . . . 1.0(5) ?
C25 O4 C21 C20 . . . . -88.7(4) ?
C25 O4 C21 C22 . . . . 92.1(4) ?
C24 O3 C22 C21 . . . . 172.9(3) ?
C24 O3 C22 C23 . . . . -9.1(5) ?
C20 C21 C22 O3 . . . . 179.8(3) ?
O4 C21 C22 O3 . . . . -1.0(4) ?
C20 C21 C22 C23 . . . . 1.7(5) ?
O4 C21 C22 C23 . . . . -179.1(3) ?
C19 C18 C23 C22 . . . . 0.6(4) ?
C8 C18 C23 C22 . . . . 179.4(3) ?
O3 C22 C23 C18 . . . . 179.6(3) ?
C21 C22 C23 C18 . . . . -2.5(5) ?
loop_
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1 ChemSpider 30656374
