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#$Date: 2022-04-05 11:00:54 +0300 (Tue, 05 Apr 2022) $
#$Revision: 274335 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/50/8105023.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_8105023
loop_
_publ_author_name
'Jiewei, Luo'
'Shilu, Zhang'
'Yiming, Liu'
'Bo, Zhao'
_publ_section_title
;
 The crystal structure of
 3-benzyl-1-((8-(benzyloxy)quinolin-2-yl)methyl)-1H-imidazol-3-ium
 hexafluorophosphate, C27H24N3OF6P
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              79
_journal_page_last               80
_journal_paper_doi               10.1515/ncrs-2019-0498
_journal_volume                  235
_journal_year                    2019
_chemical_formula_sum            'C27 H24 F6 N3 O P'
_chemical_formula_weight         551.46
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                90
_cell_angle_beta                 124.522(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.0589(18)
_cell_length_b                   12.5100(9)
_cell_length_c                   13.3659(12)
_cell_measurement_reflns_used    4453
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      1.8
_cell_volume                     2487.9(4)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 14.22
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku Saturn 724ccd'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0518
_diffrn_reflns_av_unetI/netI     0.0888
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12927
_diffrn_reflns_point_group_measured_fraction_full 0.886
_diffrn_reflns_point_group_measured_fraction_max 0.847
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.896
_diffrn_reflns_theta_min         2.127
_exptl_absorpt_coefficient_mu    0.183
_exptl_absorpt_correction_T_max  0.9679
_exptl_absorpt_correction_T_min  0.9575
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrystalClear
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1136
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_refine_diff_density_max         0.531
_refine_diff_density_min         -0.428
_refine_diff_density_rms         0.056
_refine_ls_abs_structure_details
;
 Flack x determined using 976 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.07(10)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.967
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         5042
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.966
_refine_ls_R_factor_all          0.0609
_refine_ls_R_factor_gt           0.0437
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0514P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1076
_refine_ls_wR_factor_ref         0.1141
_reflns_Friedel_coverage         0.699
_reflns_Friedel_fraction_full    0.772
_reflns_Friedel_fraction_max     0.698
_reflns_number_gt                2955
_reflns_number_total             5042
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2019-0498_suppl.cif
_cod_data_source_block           shelx
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               8105023
_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   0.957
_shelx_estimated_absorpt_t_max   0.968
_exptl_absorpt_special_details
; 
Rigaku CrystalClear-SM Expert 2.0 r2 
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, 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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C4 C 0.2131(3) 0.6948(3) 0.6143(4) 0.0209(10) Uani 1 1 d . . . . .
C6 C 0.0867(3) 0.8203(4) 0.6072(4) 0.0252(10) Uani 1 1 d . . . . .
C7 C 0.1338(3) 0.9631(4) 0.5311(4) 0.0223(10) Uani 1 1 d . . . . .
C8 C 0.1426(3) 0.8562(3) 0.5726(4) 0.0201(9) Uani 1 1 d . . . . .
C9 C 0.4999(3) 0.8815(4) 0.6412(4) 0.0260(10) Uani 1 1 d . . . . .
H9A H 0.4563 0.9032 0.5557 0.031 Uiso 1 1 calc R U . . .
H9B H 0.5562 0.8593 0.6506 0.031 Uiso 1 1 calc R U . . .
C10 C 0.6197(4) 1.0725(4) 0.9058(4) 0.0334(12) Uani 1 1 d . . . . .
H10 H 0.6781 1.0822 0.9778 0.040 Uiso 1 1 calc R U . . .
C11 C 0.0719(3) 1.0298(4) 0.5275(4) 0.0251(10) Uani 1 1 d . . . . .
H11 H 0.0657 1.1012 0.4997 0.030 Uiso 1 1 calc R U . . .
C12 C 0.1596(3) 0.6508(4) 0.6500(4) 0.0302(11) Uani 1 1 d . . . . .
H12 H 0.1674 0.5786 0.6761 0.036 Uiso 1 1 calc R U . . .
C13 C 0.0967(3) 0.7132(4) 0.6466(4) 0.0275(11) Uani 1 1 d . . . . .
H13 H 0.0599 0.6853 0.6703 0.033 Uiso 1 1 calc R U . . .
C14 C 0.0243(3) 0.8917(4) 0.6036(4) 0.0289(11) Uani 1 1 d . . . . .
H14 H -0.0128 0.8681 0.6285 0.035 Uiso 1 1 calc R U . . .
C15 C 0.3773(3) 0.7665(3) 0.6094(4) 0.0228(10) Uani 1 1 d . . . . .
H15 H 0.3301 0.8025 0.5392 0.027 Uiso 1 1 calc R U . . .
C16 C 0.5187(3) 0.9750(3) 0.7240(4) 0.0201(9) Uani 1 1 d . . . . .
C17 C 0.1774(3) 1.0916(3) 0.4432(4) 0.0266(11) Uani 1 1 d . . . . .
H17A H 0.1882 1.1492 0.5009 0.032 Uiso 1 1 calc R U . . .
H17B H 0.1154 1.0989 0.3697 0.032 Uiso 1 1 calc R U . . .
C18 C 0.4507(3) 0.6543(4) 0.7609(4) 0.0257(10) Uani 1 1 d . . . . .
H18 H 0.4634 0.5971 0.8153 0.031 Uiso 1 1 calc R U . . .
C19 C 0.2837(3) 0.6265(3) 0.6194(4) 0.0280(11) Uani 1 1 d . . . . .
H19A H 0.2968 0.5649 0.6735 0.034 Uiso 1 1 calc R U . . .
H19B H 0.2592 0.5981 0.5372 0.034 Uiso 1 1 calc R U . . .
C20 C 0.0175(3) 0.9930(4) 0.5649(4) 0.0305(11) Uani 1 1 d . . . . .
H20 H -0.0246 1.0401 0.5628 0.037 Uiso 1 1 calc R U . . .
C21 C 0.5113(3) 0.7222(4) 0.7670(4) 0.0269(11) Uani 1 1 d . . . . .
H21 H 0.5744 0.7223 0.8260 0.032 Uiso 1 1 calc R U . . .
C22 C 0.3712(3) 1.1063(4) 0.3567(4) 0.0307(12) Uani 1 1 d . . . . .
H22 H 0.4159 1.1088 0.3402 0.037 Uiso 1 1 calc R U . . .
C23 C 0.2582(3) 1.0106(4) 0.3586(4) 0.0245(10) Uani 1 1 d . . . . .
H23 H 0.2238 0.9473 0.3410 0.029 Uiso 1 1 calc R U . . .
C24 C 0.2934(3) 1.1907(4) 0.4320(4) 0.0301(11) Uani 1 1 d . . . . .
H24 H 0.2839 1.2514 0.4661 0.036 Uiso 1 1 calc R U . . .
C25 C 0.4503(3) 1.0425(4) 0.6976(4) 0.0282(11) Uani 1 1 d . . . . .
H25 H 0.3918 1.0317 0.6261 0.034 Uiso 1 1 calc R U . . .
C26 C 0.3230(3) 1.0166(4) 0.3332(4) 0.0303(11) Uani 1 1 d . . . . .
H26 H 0.3332 0.9567 0.2988 0.036 Uiso 1 1 calc R U . . .
C27 C 0.2445(3) 1.0988(4) 0.4102(4) 0.0236(10) Uani 1 1 d . . . . .
C28 C 0.3563(3) 1.1945(4) 0.4044(4) 0.0321(12) Uani 1 1 d . . . . .
H28 H 0.3893 1.2583 0.4183 0.039 Uiso 1 1 calc R U . . .
C29 C 0.6038(3) 0.9916(4) 0.8280(4) 0.0259(10) Uani 1 1 d . . . . .
H29 H 0.6517 0.9458 0.8454 0.031 Uiso 1 1 calc R U . . .
C30 C 0.4659(4) 1.1260(4) 0.7742(5) 0.0397(14) Uani 1 1 d . . . . .
H30 H 0.4185 1.1736 0.7546 0.048 Uiso 1 1 calc R U . . .
C31 C 0.5504(4) 1.1408(4) 0.8797(5) 0.0356(12) Uani 1 1 d . . . . .
H31 H 0.5609 1.1973 0.9337 0.043 Uiso 1 1 calc R U . . .
F1 F 0.7026(2) 0.8912(3) 0.6874(3) 0.0577(10) Uani 1 1 d . . . . .
F2 F 0.7685(2) 0.7378(3) 0.6991(3) 0.0646(10) Uani 1 1 d . . . . .
F3 F 0.8484(3) 0.8872(3) 0.7513(4) 0.0803(13) Uani 1 1 d . . . . .
F4 F 0.87749(18) 0.7712(2) 0.8925(2) 0.0437(8) Uani 1 1 d . . . . .
F5 F 0.8100(2) 0.9254(3) 0.8787(4) 0.0745(12) Uani 1 1 d . . . . .
F6 F 0.73181(18) 0.7742(2) 0.8308(3) 0.0414(7) Uani 1 1 d . . . . .
N1 N 0.4633(2) 0.7910(3) 0.6706(3) 0.0222(8) Uani 1 1 d . . . . .
N2 N 0.3679(2) 0.6827(3) 0.6627(3) 0.0214(8) Uani 1 1 d . . . . .
N3 N 0.2053(2) 0.7921(3) 0.5759(3) 0.0196(8) Uani 1 1 d . . . . .
O2 O 0.18934(19) 0.9902(2) 0.4973(3) 0.0256(7) Uani 1 1 d . . . . .
P1 P 0.79050(9) 0.82961(11) 0.79089(12) 0.0353(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'
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'
P P 0.1023 0.0942 '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
F2 P1 F4 91.28(18) . .
F2 P1 F5 177.5(3) . .
F4 P1 F5 91.0(2) . .
F2 P1 F3 89.7(2) . .
F4 P1 F3 88.53(19) . .
F5 P1 F3 89.5(2) . .
F2 P1 F6 91.25(19) . .
F4 P1 F6 92.14(16) . .
F5 P1 F6 89.5(2) . .
F3 P1 F6 178.8(2) . .
F2 P1 F1 89.4(2) . .
F4 P1 F1 178.9(2) . .
F5 P1 F1 88.3(2) . .
F3 P1 F1 90.64(19) . .
F6 P1 F1 88.68(17) . .
C7 O2 C17 117.9(3) . .
C4 N3 C8 117.7(3) . .
C15 N2 C18 108.5(4) . .
C15 N2 C19 125.8(4) . .
C18 N2 C19 125.6(4) . .
N3 C4 C12 124.0(4) . .
N3 C4 C19 116.7(4) . .
C12 C4 C19 119.3(4) . .
C15 N1 C21 109.4(4) . .
C15 N1 C9 124.3(4) . .
C21 N1 C9 126.3(4) . .
C8 C6 C13 117.5(4) . .
C8 C6 C14 119.7(4) . .
C13 C6 C14 122.9(4) . .
O2 C7 C11 125.3(4) . .
O2 C7 C8 115.1(4) . .
C11 C7 C8 119.7(4) . .
N3 C8 C6 122.7(4) . .
N3 C8 C7 118.2(4) . .
C6 C8 C7 119.1(4) . .
N1 C9 C16 110.4(3) . .
N1 C9 H9A 109.6 . .
C16 C9 H9A 109.6 . .
N1 C9 H9B 109.6 . .
C16 C9 H9B 109.6 . .
H9A C9 H9B 108.1 . .
C29 C10 C31 119.8(5) . .
C29 C10 H10 120.1 . .
C31 C10 H10 120.1 . .
C7 C11 C20 120.4(4) . .
C7 C11 H11 119.8 . .
C20 C11 H11 119.8 . .
C13 C12 C4 119.0(4) . .
C13 C12 H12 120.5 . .
C4 C12 H12 120.5 . .
C12 C13 C6 119.1(4) . .
C12 C13 H13 120.4 . .
C6 C13 H13 120.4 . .
C20 C14 C6 120.3(4) . .
C20 C14 H14 119.9 . .
C6 C14 H14 119.9 . .
N1 C15 N2 108.3(4) . .
N1 C15 H15 125.9 . .
N2 C15 H15 125.9 . .
C25 C16 C29 119.5(4) . .
C25 C16 C9 119.6(4) . .
C29 C16 C9 120.9(4) . .
O2 C17 C27 106.7(4) . .
O2 C17 H17A 110.4 . .
C27 C17 H17A 110.4 . .
O2 C17 H17B 110.4 . .
C27 C17 H17B 110.4 . .
H17A C17 H17B 108.6 . .
C21 C18 N2 107.6(4) . .
C21 C18 H18 126.2 . .
N2 C18 H18 126.2 . .
N2 C19 C4 114.2(4) . .
N2 C19 H19A 108.7 . .
C4 C19 H19A 108.7 . .
N2 C19 H19B 108.7 . .
C4 C19 H19B 108.7 . .
H19A C19 H19B 107.6 . .
C14 C20 C11 120.9(4) . .
C14 C20 H20 119.6 . .
C11 C20 H20 119.6 . .
C18 C21 N1 106.2(4) . .
C18 C21 H21 126.9 . .
N1 C21 H21 126.9 . .
C26 C22 C28 120.5(5) . .
C26 C22 H22 119.8 . .
C28 C22 H22 119.8 . .
C26 C23 C27 119.1(4) . .
C26 C23 H23 120.5 . .
C27 C23 H23 120.5 . .
C27 C24 C28 119.9(5) . .
C27 C24 H24 120.0 . .
C28 C24 H24 120.0 . .
C16 C25 C30 120.2(4) . .
C16 C25 H25 119.9 . .
C30 C25 H25 119.9 . .
C22 C26 C23 120.7(5) . .
C22 C26 H26 119.6 . .
C23 C26 H26 119.6 . .
C24 C27 C23 119.6(4) . .
C24 C27 C17 120.8(4) . .
C23 C27 C17 119.6(4) . .
C22 C28 C24 120.2(5) . .
C22 C28 H28 119.9 . .
C24 C28 H28 119.9 . .
C10 C29 C16 120.9(4) . .
C10 C29 H29 119.6 . .
C16 C29 H29 119.6 . .
C25 C30 C31 120.2(4) . .
C25 C30 H30 119.9 . .
C31 C30 H30 119.9 . .
C30 C31 C10 119.4(5) . .
C30 C31 H31 120.3 . .
C10 C31 H31 120.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 F2 1.558(3) .
P1 F4 1.558(3) .
P1 F5 1.571(4) .
P1 F3 1.587(4) .
P1 F6 1.591(3) .
P1 F1 1.594(3) .
O2 C7 1.357(5) .
O2 C17 1.415(5) .
N3 C4 1.298(5) .
N3 C8 1.366(5) .
N2 C15 1.332(5) .
N2 C18 1.364(5) .
N2 C19 1.464(5) .
C4 C12 1.409(6) .
C4 C19 1.504(6) .
N1 C15 1.317(5) .
N1 C21 1.374(5) .
N1 C9 1.473(5) .
C6 C8 1.403(6) .
C6 C13 1.413(6) .
C6 C14 1.416(6) .
C7 C11 1.374(6) .
C7 C8 1.422(6) .
C9 C16 1.511(6) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C29 1.360(6) .
C10 C31 1.387(7) .
C10 H10 0.9500 .
C11 C20 1.408(6) .
C11 H11 0.9500 .
C12 C13 1.357(6) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 C20 1.347(7) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 C25 1.368(6) .
C16 C29 1.384(6) .
C17 C27 1.509(7) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 C21 1.351(6) .
C18 H18 0.9500 .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 H20 0.9500 .
C21 H21 0.9500 .
C22 C26 1.344(6) .
C22 C28 1.376(7) .
C22 H22 0.9500 .
C23 C26 1.394(6) .
C23 C27 1.395(6) .
C23 H23 0.9500 .
C24 C27 1.376(6) .
C24 C28 1.379(6) .
C24 H24 0.9500 .
C25 C30 1.376(7) .
C25 H25 0.9500 .
C26 H26 0.9500 .
C28 H28 0.9500 .
C29 H29 0.9500 .
C30 C31 1.383(7) .
C30 H30 0.9500 .
C31 H31 0.9500 .
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
C8 N3 C4 C12 1.5(6) . . . .
C8 N3 C4 C19 -178.8(4) . . . .
C17 O2 C7 C11 -6.3(6) . . . .
C17 O2 C7 C8 173.4(4) . . . .
C4 N3 C8 C6 -0.9(6) . . . .
C4 N3 C8 C7 179.7(4) . . . .
C13 C6 C8 N3 -0.1(6) . . . .
C14 C6 C8 N3 178.9(4) . . . .
C13 C6 C8 C7 179.3(4) . . . .
C14 C6 C8 C7 -1.7(6) . . . .
O2 C7 C8 N3 0.7(5) . . . .
C11 C7 C8 N3 -179.6(4) . . . .
O2 C7 C8 C6 -178.8(4) . . . .
C11 C7 C8 C6 1.0(6) . . . .
C15 N1 C9 C16 100.1(5) . . . .
C21 N1 C9 C16 -77.2(5) . . . .
O2 C7 C11 C20 179.9(4) . . . .
C8 C7 C11 C20 0.2(6) . . . .
N3 C4 C12 C13 -1.1(7) . . . .
C19 C4 C12 C13 179.2(4) . . . .
C4 C12 C13 C6 0.0(7) . . . .
C8 C6 C13 C12 0.5(6) . . . .
C14 C6 C13 C12 -178.4(4) . . . .
C8 C6 C14 C20 1.2(6) . . . .
C13 C6 C14 C20 -179.8(4) . . . .
C21 N1 C15 N2 -0.5(5) . . . .
C9 N1 C15 N2 -178.2(3) . . . .
C18 N2 C15 N1 0.4(5) . . . .
C19 N2 C15 N1 -176.4(4) . . . .
N1 C9 C16 C25 -82.6(5) . . . .
N1 C9 C16 C29 95.7(5) . . . .
C7 O2 C17 C27 -177.6(4) . . . .
C15 N2 C18 C21 -0.1(5) . . . .
C19 N2 C18 C21 176.7(4) . . . .
C15 N2 C19 C4 -61.8(5) . . . .
C18 N2 C19 C4 121.9(4) . . . .
N3 C4 C19 N2 40.2(5) . . . .
C12 C4 C19 N2 -140.2(4) . . . .
C6 C14 C20 C11 0.0(7) . . . .
C7 C11 C20 C14 -0.7(7) . . . .
N2 C18 C21 N1 -0.2(5) . . . .
C15 N1 C21 C18 0.5(5) . . . .
C9 N1 C21 C18 178.1(4) . . . .
C29 C16 C25 C30 -0.3(6) . . . .
C9 C16 C25 C30 178.0(4) . . . .
C28 C22 C26 C23 -1.1(7) . . . .
C27 C23 C26 C22 -0.7(7) . . . .
C28 C24 C27 C23 -0.9(6) . . . .
C28 C24 C27 C17 178.2(4) . . . .
C26 C23 C27 C24 1.7(6) . . . .
C26 C23 C27 C17 -177.3(4) . . . .
O2 C17 C27 C24 -136.8(4) . . . .
O2 C17 C27 C23 42.2(5) . . . .
C26 C22 C28 C24 2.0(7) . . . .
C27 C24 C28 C22 -1.0(7) . . . .
C31 C10 C29 C16 -1.3(7) . . . .
C25 C16 C29 C10 1.6(6) . . . .
C9 C16 C29 C10 -176.7(4) . . . .
C16 C25 C30 C31 -1.3(7) . . . .
C25 C30 C31 C10 1.6(7) . . . .
C29 C10 C31 C30 -0.3(7) . . . .
