#------------------------------------------------------------------------------
#$Date: 2022-06-14 12:28:03 +0300 (Tue, 14 Jun 2022) $
#$Revision: 276025 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/54/8105414.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_8105414
loop_
_publ_author_name
'Chen, Shi-Jun'
'Tian, Wei'
'Hui, Yan-Ni'
'Zhu, Mei'
_publ_section_title
;
 Crystal structure of
 4,4′-di(1H-imidazol-1-yl)-1,1′-biphenyl-1-ium
 5,3′,5′-tricarboxy-[1,10-biphenyl]-2-carboxylate,
 C25H17N2O8
;
_journal_issue                   5
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              1179
_journal_page_last               1181
_journal_paper_doi               10.1515/ncrs-2020-0237
_journal_volume                  235
_journal_year                    2020
_chemical_formula_moiety         'C9 H8 N2, C16 H9 O8'
_chemical_formula_sum            'C25 H17 N2 O8'
_chemical_formula_weight         473.41
_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
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_contact_author_name
;
;
_audit_creation_date             2020-05-17
_audit_creation_method
;
Olex2 1.2-alpha
(compiled 2018.07.26 svn.r3523 for OlexSys, GUI svn.r5532)
;
_cell_angle_alpha                93.412(4)
_cell_angle_beta                 98.094(4)
_cell_angle_gamma                98.787(4)
_cell_formula_units_Z            2
_cell_length_a                   9.6002(5)
_cell_length_b                   10.4192(5)
_cell_length_c                   11.0226(5)
_cell_measurement_reflns_used    5210
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4310
_cell_measurement_theta_min      4.0040
_cell_volume                     1075.05(9)
_computing_cell_refinement       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0584
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -20.00  25.00   1.00    7.65    --  -13.64 -99.00  90.00   45
  2  ω     -2.00  82.00   1.00    7.65    --   15.05  57.00 -90.00   84
  3  ω     -2.00  82.00   1.00    7.65    --   15.05  57.00 120.00   84
  4  ω     -4.00  84.00   1.00    7.65    --   15.05  38.00  60.00   88
  5  ω    -53.00  42.00   1.00    7.65    --   15.05 -77.00 -30.00   95
  6  ω    -54.00  34.00   1.00    7.65    --   15.05 -38.00 120.00   88
  7  ω    -86.00 -34.00   1.00    7.65    --  -13.64 178.00 -30.00   52
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0320181000
_diffrn_orient_matrix_UB_12      0.0570566000
_diffrn_orient_matrix_UB_13      -0.0239267000
_diffrn_orient_matrix_UB_21      0.0623328000
_diffrn_orient_matrix_UB_22      -0.0280305000
_diffrn_orient_matrix_UB_23      -0.0033601000
_diffrn_orient_matrix_UB_31      -0.0284758000
_diffrn_orient_matrix_UB_32      -0.0271432000
_diffrn_orient_matrix_UB_33      -0.0605805000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0239
_diffrn_reflns_av_unetI/netI     0.0331
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            11742
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         3.37
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.111
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.62095
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.462
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             490
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.29
_refine_diff_density_max         0.406
_refine_diff_density_min         -0.274
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     323
_refine_ls_number_reflns         3995
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0670
_refine_ls_R_factor_gt           0.0547
_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)+(0.0584P)²+0.7736P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1348
_refine_ls_wR_factor_ref         0.1426
_reflns_number_gt                3271
_reflns_number_total             3995
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            suppl_ncrs-2020-0237_suppl.cif
_cod_data_source_block           2020.2
_cod_original_cell_volume        1075.04(9)
_cod_database_code               8105414
_chemical_oxdiff_formula         'c h o n ni'
_reflns_odcompleteness_completeness 99.75
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     25.30
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1B), C2(H2), C3(H3A), C5(H5A), C6(H6), C8(H8), C9(H9), C12(H12), C14(H14),
  C16(H16), C19(H19), C20(H20), C22(H22)
2.b Idealised tetrahedral OH refined as rotating group:
 O1(H1), O3(H3), O5(H5)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.558
_oxdiff_exptl_absorpt_empirical_full_min 0.615
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
N1 N 0.5311(2) 0.7217(2) 0.88468(19) 0.0356(5) Uani 1 d . . .
N2 N 0.6703(2) 0.84588(18) 0.78875(17) 0.0311(5) Uani 1 d . . .
O1 O 0.4383(2) 0.72017(17) 0.4025(2) 0.0593(6) Uani 1 d . . .
H1 H 0.4855 0.6990 0.3504 0.089 Uiso 1 calc . . GR
O2 O 0.3716(2) 0.50632(17) 0.40205(17) 0.0508(5) Uani 1 d . . .
O3 O 0.3221(3) 1.02544(17) 0.69027(19) 0.0579(6) Uani 1 d . . .
H3 H 0.3226 1.0991 0.7213 0.087 Uiso 1 calc . . GR
O4 O 0.2026(2) 0.96708(17) 0.84229(18) 0.0568(6) Uani 1 d . . .
O5 O -0.28987(18) 0.46306(17) 0.87376(18) 0.0429(5) Uani 1 d . . .
H5 H -0.3753 0.4507 0.8786 0.064 Uiso 1 calc . . GR
O6 O -0.30274(19) 0.2621(2) 0.9322(2) 0.0588(6) Uani 1 d . . .
O7 O 0.43473(17) 0.46186(15) 0.86832(16) 0.0366(4) Uani 1 d . . .
O8 O 0.37580(18) 0.27656(15) 0.75173(17) 0.0398(5) Uani 1 d . . .
C1 C 0.5525(3) 0.8422(2) 0.9452(2) 0.0409(6) Uani 1 d . . .
H1B H 0.5139 0.8657 1.0144 0.049 Uiso 1 calc . . R
C2 C 0.6395(3) 0.9206(2) 0.8865(2) 0.0404(6) Uani 1 d . . .
H2 H 0.6729 1.0089 0.9075 0.049 Uiso 1 calc . . R
C3 C 0.6030(3) 0.7245(2) 0.7912(2) 0.0347(6) Uani 1 d . . .
H3A H 0.6062 0.6540 0.7364 0.042 Uiso 1 calc . . R
C4 C 0.7634(3) 0.8896(2) 0.7034(2) 0.0322(5) Uani 1 d . . .
C5 C 0.8051(4) 1.0195(3) 0.6969(3) 0.0647(10) Uani 1 d . . .
H5A H 0.7702 1.0797 0.7453 0.078 Uiso 1 calc . . R
C6 C 0.8988(4) 1.0615(3) 0.6187(3) 0.0662(10) Uani 1 d . . .
H6 H 0.9286 1.1506 0.6172 0.079 Uiso 1 calc . . R
C7 C 0.9500(3) 0.9770(2) 0.5426(2) 0.0343(6) Uani 1 d . . .
C8 C 0.9028(4) 0.8475(3) 0.5493(3) 0.0728(12) Uani 1 d . . .
H8 H 0.9333 0.7869 0.4979 0.087 Uiso 1 calc . . R
C9 C 0.8115(4) 0.8031(3) 0.6295(4) 0.0741(12) Uani 1 d . . .
H9 H 0.7831 0.7141 0.6328 0.089 Uiso 1 calc . . R
C10 C 0.3752(3) 0.6153(2) 0.4454(2) 0.0338(6) Uani 1 d . . .
C11 C 0.3079(2) 0.6473(2) 0.5554(2) 0.0291(5) Uani 1 d . . .
C12 C 0.2445(2) 0.5468(2) 0.6162(2) 0.0294(5) Uani 1 d . . .
H12 H 0.2435 0.4609 0.5875 0.035 Uiso 1 calc . . R
C13 C 0.1822(2) 0.5729(2) 0.7201(2) 0.0265(5) Uani 1 d . . .
C14 C 0.1836(2) 0.7019(2) 0.7605(2) 0.0291(5) Uani 1 d . . .
H14 H 0.1401 0.7208 0.8282 0.035 Uiso 1 calc . . R
C15 C 0.2489(2) 0.8031(2) 0.7013(2) 0.0291(5) Uani 1 d . . .
C16 C 0.3115(3) 0.7759(2) 0.5990(2) 0.0306(5) Uani 1 d . . .
H16 H 0.3560 0.8435 0.5595 0.037 Uiso 1 calc . . R
C17 C 0.1167(2) 0.4656(2) 0.7881(2) 0.0261(5) Uani 1 d . . .
C18 C 0.1911(2) 0.3673(2) 0.8296(2) 0.0255(5) Uani 1 d . . .
C19 C 0.1263(2) 0.2683(2) 0.8915(2) 0.0327(5) Uani 1 d . . .
H19 H 0.1758 0.2023 0.9174 0.039 Uiso 1 calc . . R
C20 C -0.0115(3) 0.2673(2) 0.9150(2) 0.0338(6) Uani 1 d . . .
H20 H -0.0539 0.2016 0.9578 0.041 Uiso 1 calc . . R
C21 C -0.0863(2) 0.3636(2) 0.8752(2) 0.0296(5) Uani 1 d . . .
C22 C -0.0225(2) 0.4623(2) 0.8119(2) 0.0294(5) Uani 1 d . . .
H22 H -0.0734 0.5270 0.7851 0.035 Uiso 1 calc . . R
C23 C 0.3451(2) 0.3691(2) 0.8145(2) 0.0254(5) Uani 1 d . . .
C24 C -0.2367(2) 0.3569(2) 0.8973(2) 0.0329(5) Uani 1 d . . .
C25 C 0.2537(3) 0.9395(2) 0.7527(2) 0.0360(6) Uani 1 d . . .
H1A H 0.480(3) 0.643(3) 0.902(3) 0.066(10) Uiso 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'
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 H1A 131(2) . .
C3 N1 C1 109.6(2) . .
C3 N1 H1A 120(2) . .
C2 N2 C4 126.11(19) . .
C3 N2 C2 107.84(19) . .
C3 N2 C4 125.99(19) . .
C10 O1 H1 109.5 . .
C25 O3 H3 109.5 . .
C24 O5 H5 109.5 . .
N1 C1 H1B 126.4 . .
C2 C1 N1 107.2(2) . .
C2 C1 H1B 126.4 . .
N2 C2 H2 126.4 . .
C1 C2 N2 107.1(2) . .
C1 C2 H2 126.4 . .
N1 C3 N2 108.2(2) . .
N1 C3 H3A 125.9 . .
N2 C3 H3A 125.9 . .
C5 C4 N2 119.8(2) . .
C9 C4 N2 120.8(2) . .
C9 C4 C5 119.4(2) . .
C4 C5 H5A 120.1 . .
C4 C5 C6 119.9(3) . .
C6 C5 H5A 120.1 . .
C5 C6 H6 118.8 . .
C7 C6 C5 122.4(3) . .
C7 C6 H6 118.8 . .
C6 C7 C7 122.1(3) . 2_776
C8 C7 C6 116.1(2) . .
C8 C7 C7 121.8(3) . 2_776
C7 C8 H8 118.8 . .
C7 C8 C9 122.4(3) . .
C9 C8 H8 118.8 . .
C4 C9 C8 119.8(3) . .
C4 C9 H9 120.1 . .
C8 C9 H9 120.1 . .
O1 C10 C11 112.1(2) . .
O2 C10 O1 124.3(2) . .
O2 C10 C11 123.6(2) . .
C12 C11 C10 119.2(2) . .
C12 C11 C16 119.9(2) . .
C16 C11 C10 120.9(2) . .
C11 C12 H12 119.6 . .
C11 C12 C13 120.8(2) . .
C13 C12 H12 119.6 . .
C12 C13 C17 121.33(19) . .
C14 C13 C12 118.6(2) . .
C14 C13 C17 120.05(19) . .
C13 C14 H14 119.6 . .
C15 C14 C13 120.9(2) . .
C15 C14 H14 119.6 . .
C14 C15 C25 118.5(2) . .
C16 C15 C14 120.0(2) . .
C16 C15 C25 121.5(2) . .
C11 C16 H16 120.1 . .
C15 C16 C11 119.9(2) . .
C15 C16 H16 120.1 . .
C18 C17 C13 121.92(19) . .
C22 C17 C13 119.6(2) . .
C22 C17 C18 118.5(2) . .
C17 C18 C23 121.51(19) . .
C19 C18 C17 120.4(2) . .
C19 C18 C23 118.1(2) . .
C18 C19 H19 119.9 . .
C20 C19 C18 120.3(2) . .
C20 C19 H19 119.9 . .
C19 C20 H20 119.9 . .
C21 C20 C19 120.1(2) . .
C21 C20 H20 119.9 . .
C20 C21 C22 119.9(2) . .
C20 C21 C24 118.9(2) . .
C22 C21 C24 121.2(2) . .
C17 C22 H22 119.6 . .
C21 C22 C17 120.9(2) . .
C21 C22 H22 119.6 . .
O7 C23 O8 124.0(2) . .
O7 C23 C18 117.69(18) . .
O8 C23 C18 118.28(19) . .
O5 C24 C21 113.6(2) . .
O6 C24 O5 123.6(2) . .
O6 C24 C21 122.7(2) . .
O3 C25 C15 112.3(2) . .
O4 C25 O3 124.1(2) . .
O4 C25 C15 123.6(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N1 C1 1.359(3) .
N1 C3 1.317(3) .
N1 H1A 0.93(3) .
N2 C2 1.384(3) .
N2 C3 1.333(3) .
N2 C4 1.433(3) .
O1 H1 0.8200 .
O1 C10 1.313(3) .
O2 C10 1.199(3) .
O3 H3 0.8200 .
O3 C25 1.315(3) .
O4 C25 1.202(3) .
O5 H5 0.8200 .
O5 C24 1.312(3) .
O6 C24 1.204(3) .
O7 C23 1.249(3) .
O8 C23 1.249(3) .
C1 H1B 0.9300 .
C1 C2 1.338(3) .
C2 H2 0.9300 .
C3 H3A 0.9300 .
C4 C5 1.360(4) .
C4 C9 1.355(4) .
C5 H5A 0.9300 .
C5 C6 1.374(4) .
C6 H6 0.9300 .
C6 C7 1.371(4) .
C7 C7 1.484(4) 2_776
C7 C8 1.366(4) .
C8 H8 0.9300 .
C8 C9 1.381(4) .
C9 H9 0.9300 .
C10 C11 1.497(3) .
C11 C12 1.385(3) .
C11 C16 1.389(3) .
C12 H12 0.9300 .
C12 C13 1.396(3) .
C13 C14 1.388(3) .
C13 C17 1.493(3) .
C14 H14 0.9300 .
C14 C15 1.388(3) .
C15 C16 1.385(3) .
C15 C25 1.490(3) .
C16 H16 0.9300 .
C17 C18 1.398(3) .
C17 C22 1.393(3) .
C18 C19 1.388(3) .
C18 C23 1.508(3) .
C19 H19 0.9300 .
C19 C20 1.382(3) .
C20 H20 0.9300 .
C20 C21 1.378(3) .
C21 C22 1.390(3) .
C21 C24 1.490(3) .
C22 H22 0.9300 .
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
N1 C1 C2 N2 0.2(3) . . . .
N2 C4 C5 C6 177.4(3) . . . .
N2 C4 C9 C8 -179.0(3) . . . .
O1 C10 C11 C12 -176.1(2) . . . .
O1 C10 C11 C16 2.2(3) . . . .
O2 C10 C11 C12 3.9(4) . . . .
O2 C10 C11 C16 -177.8(3) . . . .
C1 N1 C3 N2 -0.6(3) . . . .
C2 N2 C3 N1 0.8(3) . . . .
C2 N2 C4 C5 -14.8(4) . . . .
C2 N2 C4 C9 164.7(3) . . . .
C3 N1 C1 C2 0.2(3) . . . .
C3 N2 C2 C1 -0.6(3) . . . .
C3 N2 C4 C5 168.3(3) . . . .
C3 N2 C4 C9 -12.1(4) . . . .
C4 N2 C2 C1 -177.9(2) . . . .
C4 N2 C3 N1 178.1(2) . . . .
C4 C5 C6 C7 2.0(6) . . . .
C5 C4 C9 C8 0.5(6) . . . .
C5 C6 C7 C7 179.3(4) . . . 2_776
C5 C6 C7 C8 -0.2(5) . . . .
C6 C7 C8 C9 -1.4(6) . . . .
C7 C7 C8 C9 179.0(4) 2_776 . . .
C7 C8 C9 C4 1.4(6) . . . .
C9 C4 C5 C6 -2.1(5) . . . .
C10 C11 C12 C13 179.2(2) . . . .
C10 C11 C16 C15 -179.8(2) . . . .
C11 C12 C13 C14 0.7(3) . . . .
C11 C12 C13 C17 -178.5(2) . . . .
C12 C11 C16 C15 -1.5(4) . . . .
C12 C13 C14 C15 -1.8(3) . . . .
C12 C13 C17 C18 52.7(3) . . . .
C12 C13 C17 C22 -127.5(2) . . . .
C13 C14 C15 C16 1.2(4) . . . .
C13 C14 C15 C25 -176.8(2) . . . .
C13 C17 C18 C19 -179.4(2) . . . .
C13 C17 C18 C23 3.8(3) . . . .
C13 C17 C22 C21 -180.0(2) . . . .
C14 C13 C17 C18 -126.5(2) . . . .
C14 C13 C17 C22 53.3(3) . . . .
C14 C15 C16 C11 0.4(4) . . . .
C14 C15 C25 O3 178.1(2) . . . .
C14 C15 C25 O4 -0.8(4) . . . .
C16 C11 C12 C13 0.9(4) . . . .
C16 C15 C25 O3 0.0(4) . . . .
C16 C15 C25 O4 -178.9(3) . . . .
C17 C13 C14 C15 177.5(2) . . . .
C17 C18 C19 C20 -1.3(3) . . . .
C17 C18 C23 O7 62.7(3) . . . .
C17 C18 C23 O8 -119.0(2) . . . .
C18 C17 C22 C21 -0.1(3) . . . .
C18 C19 C20 C21 1.1(4) . . . .
C19 C18 C23 O7 -114.2(2) . . . .
C19 C18 C23 O8 64.1(3) . . . .
C19 C20 C21 C22 -0.4(4) . . . .
C19 C20 C21 C24 177.5(2) . . . .
C20 C21 C22 C17 -0.1(3) . . . .
C20 C21 C24 O5 169.7(2) . . . .
C20 C21 C24 O6 -11.0(4) . . . .
C22 C17 C18 C19 0.8(3) . . . .
C22 C17 C18 C23 -176.0(2) . . . .
C22 C21 C24 O5 -12.5(3) . . . .
C22 C21 C24 O6 166.8(2) . . . .
C23 C18 C19 C20 175.6(2) . . . .
C24 C21 C22 C17 -177.9(2) . . . .
C25 C15 C16 C11 178.5(2) . . . .
