#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:58:05 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180204 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/98/7109845.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_7109845
loop_
_publ_author_name
'Guo Fan Jin'
'Jo-Hyun Hwang'
'Jong-Dae Lee'
'Kyung-Ryang Wee'
'Il-Hwan Suh'
'Sang Ook Kang'
_publ_section_title
;
 A three-dimensional pi-electron acceptor, tri-phenyl-o-carborane, bearing
 a rigid conformation with end-on phenyl units
;
_journal_name_full               Chem.Commun.
_journal_page_first              9398
_journal_paper_doi               10.1039/c3cc45313h
_journal_volume                  49
_journal_year                    2013
_chemical_formula_moiety         'C20 H24 B10'
_chemical_formula_sum            'C20 H24 B10'
_chemical_formula_weight         372.49
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.2745(7)
_cell_length_b                   15.5626(13)
_cell_length_c                   16.2094(14)
_cell_measurement_reflns_used    5963
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.211
_cell_measurement_theta_min      2.462
_cell_volume                     2087.3(3)
_computing_cell_refinement       'SMART (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT-Plus (Bruker, 1999)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2000)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2000)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD diffractometer'
_diffrn_measurement_method       ω-scans
_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  0.0326
_diffrn_reflns_av_sigmaI/netI    0.0223
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            21438
_diffrn_reflns_theta_full        28.34
_diffrn_reflns_theta_max         28.34
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    0.060
_exptl_absorpt_correction_T_max  0.9970
_exptl_absorpt_correction_T_min  0.9941
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.185
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             776
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.263
_refine_diff_density_min         -0.191
_refine_diff_density_rms         0.043
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         5180
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0458
_refine_ls_R_factor_gt           0.0427
_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)+(0.0845P)²+0.1693P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1155
_refine_ls_wR_factor_ref         0.1190
_reflns_number_gt                4844
_reflns_number_total             5180
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc45313h.txt
_cod_data_source_block           k110211
_cod_database_code               7109845
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -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
B3 B 0.51497(17) 0.32724(9) 0.31467(8) 0.0256(3) Uani 1 1 d .
B4 B 0.70873(18) 0.28790(9) 0.34395(9) 0.0319(3) Uani 1 1 d .
H4 H 0.7348 0.2186 0.3457 0.038 Uiso 1 1 calc R
B5 B 0.85605(18) 0.36441(10) 0.31210(10) 0.0328(3) Uani 1 1 d .
H5 H 0.9783 0.3452 0.2928 0.039 Uiso 1 1 calc R
B6 B 0.75116(17) 0.45006(9) 0.26437(9) 0.0280(3) Uani 1 1 d .
H6 H 0.8041 0.4861 0.2126 0.034 Uiso 1 1 calc R
B7 B 0.62728(19) 0.50113(9) 0.33890(9) 0.0323(3) Uani 1 1 d .
H7 H 0.6008 0.5704 0.3370 0.039 Uiso 1 1 calc R
B8 B 0.48066(19) 0.42423(10) 0.37031(8) 0.0309(3) Uani 1 1 d .
H8 H 0.3581 0.4434 0.3891 0.037 Uiso 1 1 calc R
B9 B 0.5827(2) 0.33761(10) 0.41790(9) 0.0348(3) Uani 1 1 d .
H9 H 0.5268 0.3005 0.4681 0.042 Uiso 1 1 calc R
B10 B 0.7935(2) 0.36076(11) 0.41639(10) 0.0380(3) Uani 1 1 d .
H10 H 0.8752 0.3388 0.4656 0.046 Uiso 1 1 calc R
B11 B 0.8210(2) 0.46176(10) 0.36690(10) 0.0352(3) Uani 1 1 d .
H11 H 0.9204 0.5055 0.3833 0.042 Uiso 1 1 calc R
B12 B 0.6526(2) 0.44496(11) 0.43317(9) 0.0379(3) Uani 1 1 d .
H12 H 0.6427 0.4776 0.4932 0.046 Uiso 1 1 calc R
C1 C 0.68597(15) 0.34434(7) 0.25361(8) 0.0271(2) Uani 1 1 d .
C2 C 0.54694(14) 0.42845(7) 0.26999(7) 0.0260(2) Uani 1 1 d .
C13 C 0.70840(15) 0.29804(8) 0.17194(8) 0.0305(3) Uani 1 1 d .
C14 C 0.67673(19) 0.20992(9) 0.16644(9) 0.0392(3) Uani 1 1 d .
H14 H 0.6299 0.1817 0.2110 0.047 Uiso 1 1 calc R
C15 C 0.7138(2) 0.16409(12) 0.09593(11) 0.0506(4) Uani 1 1 d .
H15 H 0.6919 0.1055 0.0936 0.061 Uiso 1 1 calc R
C16 C 0.7830(3) 0.20465(13) 0.02893(11) 0.0557(4) Uani 1 1 d .
H16 H 0.8072 0.1737 -0.0186 0.067 Uiso 1 1 calc R
C17 C 0.8159(3) 0.29129(13) 0.03300(10) 0.0573(5) Uani 1 1 d .
H17 H 0.8628 0.3189 -0.0119 0.069 Uiso 1 1 calc R
C18 C 0.7796(2) 0.33786(11) 0.10389(9) 0.0445(4) Uani 1 1 d .
H18 H 0.8030 0.3963 0.1059 0.053 Uiso 1 1 calc R
C19 C 0.43678(15) 0.46120(8) 0.20230(8) 0.0279(2) Uani 1 1 d .
C20 C 0.26982(17) 0.45980(10) 0.21316(9) 0.0385(3) Uani 1 1 d .
H20 H 0.2263 0.4359 0.2608 0.046 Uiso 1 1 calc R
C21 C 0.16802(18) 0.49368(12) 0.15360(11) 0.0474(4) Uani 1 1 d .
H21 H 0.0568 0.4922 0.1618 0.057 Uiso 1 1 calc R
C22 C 0.2290(2) 0.52935(12) 0.08260(10) 0.0465(4) Uani 1 1 d .
H22 H 0.1598 0.5515 0.0427 0.056 Uiso 1 1 calc R
C23 C 0.3937(2) 0.53180(14) 0.07138(11) 0.0559(5) Uani 1 1 d .
H23 H 0.4361 0.5560 0.0236 0.067 Uiso 1 1 calc R
C24 C 0.49663(18) 0.49862(12) 0.13053(10) 0.0471(4) Uani 1 1 d .
H24 H 0.6077 0.5013 0.1222 0.057 Uiso 1 1 calc R
C25 C 0.36804(16) 0.26974(8) 0.28858(8) 0.0290(3) Uani 1 1 d .
C26 C 0.28194(18) 0.22647(10) 0.35033(9) 0.0378(3) Uani 1 1 d .
H26 H 0.3160 0.2309 0.4048 0.045 Uiso 1 1 calc R
C27 C 0.14706(19) 0.17722(10) 0.33194(9) 0.0412(3) Uani 1 1 d .
H27 H 0.0926 0.1488 0.3741 0.049 Uiso 1 1 calc R
C28 C 0.09299(17) 0.16998(10) 0.25209(10) 0.0398(3) Uani 1 1 d .
H28 H 0.0020 0.1372 0.2401 0.048 Uiso 1 1 calc R
C29 C 0.17551(19) 0.21200(10) 0.18982(9) 0.0389(3) Uani 1 1 d .
H29 H 0.1397 0.2074 0.1356 0.047 Uiso 1 1 calc R
C30 C 0.31136(18) 0.26097(9) 0.20756(8) 0.0352(3) Uani 1 1 d .
H30 H 0.3658 0.2885 0.1649 0.042 Uiso 1 1 calc R
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'
B B 0.0013 0.0007 '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
C25 B3 C1 124.20(10)
C25 B3 C2 121.22(10)
C1 B3 C2 60.47(7)
C25 B3 B9 123.50(10)
C1 B3 B9 105.37(10)
C2 B3 B9 105.10(9)
C25 B3 B4 125.02(10)
C1 B3 B4 58.27(8)
C2 B3 B4 106.44(9)
B9 B3 B4 59.66(9)
C25 B3 B8 119.78(11)
C1 B3 B8 106.67(9)
C2 B3 B8 58.13(7)
B9 B3 B8 59.67(8)
B4 B3 B8 107.46(10)
C1 B4 B9 106.84(10)
C1 B4 B10 106.28(10)
B9 B4 B10 60.35(9)
C1 B4 B5 59.07(8)
B9 B4 B5 107.94(11)
B10 B4 B5 59.64(9)
C1 B4 B3 59.89(7)
B9 B4 B3 59.93(8)
B10 B4 B3 108.19(11)
B5 B4 B3 108.02(9)
C1 B4 H4 123.0
B9 B4 H4 121.8
B10 B4 H4 122.1
B5 B4 H4 121.9
B3 B4 H4 121.4
C1 B5 B6 59.72(8)
C1 B5 B10 106.30(10)
B6 B5 B10 107.37(11)
C1 B5 B11 107.19(10)
B6 B5 B11 59.81(8)
B10 B5 B11 60.18(9)
C1 B5 B4 58.66(8)
B6 B5 B4 107.14(10)
B10 B5 B4 60.07(9)
B11 B5 B4 108.25(11)
C1 B5 H5 123.0
B6 B5 H5 122.1
B10 B5 H5 122.2
B11 B5 H5 121.5
B4 B5 H5 122.0
C2 B6 C1 61.15(7)
C2 B6 B5 108.10(10)
C1 B6 B5 58.90(8)
C2 B6 B11 106.89(10)
C1 B6 B11 107.03(10)
B5 B6 B11 60.41(9)
C2 B6 B7 59.00(8)
C1 B6 B7 108.24(9)
B5 B6 B7 108.88(10)
B11 B6 B7 60.17(9)
C2 B6 H6 122.0
C1 B6 H6 121.9
B5 B6 H6 121.5
B11 B6 H6 122.3
B7 B6 H6 121.5
C2 B7 B6 59.13(7)
C2 B7 B12 106.30(10)
B6 B7 B12 107.33(11)
C2 B7 B11 106.71(10)
B6 B7 B11 59.82(9)
B12 B7 B11 60.17(9)
C2 B7 B8 58.71(7)
B6 B7 B8 106.73(10)
B12 B7 B8 60.15(9)
B11 B7 B8 108.09(11)
C2 B7 H7 123.2
B6 B7 H7 122.4
B12 B7 H7 122.0
B11 B7 H7 121.7
B8 B7 H7 122.1
C2 B8 B9 106.84(10)
C2 B8 B7 59.03(7)
B9 B8 B7 108.19(11)
C2 B8 B12 106.25(10)
B9 B8 B12 60.43(9)
B7 B8 B12 59.77(9)
C2 B8 B3 60.13(7)
B9 B8 B3 59.91(8)
B7 B8 B3 108.45(10)
B12 B8 B3 108.43(11)
C2 B8 H8 123.1
B9 B8 H8 121.8
B7 B8 H8 121.7
B12 B8 H8 122.0
B3 B8 H8 121.1
B4 B9 B8 108.64(9)
B4 B9 B3 60.41(8)
B8 B9 B3 60.42(8)
B4 B9 B10 60.09(9)
B8 B9 B10 107.91(11)
B3 B9 B10 108.37(10)
B4 B9 B12 108.20(11)
B8 B9 B12 60.12(9)
B3 B9 B12 108.58(10)
B10 B9 B12 59.68(10)
B4 B9 H9 121.4
B8 B9 H9 121.5
B3 B9 H9 121.2
B10 B9 H9 121.9
B12 B9 H9 121.7
B5 B10 B12 108.36(11)
B5 B10 B4 60.29(9)
B12 B10 B4 108.26(11)
B5 B10 B11 60.22(9)
B12 B10 B11 60.07(10)
B4 B10 B11 108.45(10)
B5 B10 B9 107.83(11)
B12 B10 B9 60.28(10)
B4 B10 B9 59.57(9)
B11 B10 B9 108.08(12)
B5 B10 H10 121.6
B12 B10 H10 121.4
B4 B10 H10 121.6
B11 B10 H10 121.5
B9 B10 H10 121.9
B6 B11 B7 60.01(8)
B6 B11 B12 107.23(10)
B7 B11 B12 59.85(9)
B6 B11 B10 106.90(10)
B7 B11 B10 107.72(11)
B12 B11 B10 59.84(10)
B6 B11 B5 59.79(8)
B7 B11 B5 108.25(10)
B12 B11 B5 107.69(11)
B10 B11 B5 59.60(9)
B6 B11 H11 122.3
B7 B11 H11 121.5
B12 B11 H11 122.0
B10 B11 H11 122.3
B5 B11 H11 121.7
B7 B12 B10 108.04(11)
B7 B12 B11 59.98(9)
B10 B12 B11 60.10(9)
B7 B12 B8 60.08(8)
B10 B12 B8 107.66(11)
B11 B12 B8 107.89(10)
B7 B12 B9 107.66(10)
B10 B12 B9 60.04(10)
B11 B12 B9 107.92(11)
B8 B12 B9 59.45(9)
B7 B12 H12 121.7
B10 B12 H12 121.7
B11 B12 H12 121.7
B8 B12 H12 122.0
B9 B12 H12 122.0
C13 C1 B4 119.14(10)
C13 C1 B5 117.72(10)
B4 C1 B5 62.27(8)
C13 C1 B6 119.88(10)
B4 C1 B6 111.34(10)
B5 C1 B6 61.38(8)
C13 C1 B3 121.37(10)
B4 C1 B3 61.84(8)
B5 C1 B3 112.14(10)
B6 C1 B3 109.77(9)
C13 C1 C2 124.30(10)
B4 C1 C2 108.83(9)
B5 C1 C2 108.37(9)
B6 C1 C2 59.01(7)
B3 C1 C2 59.95(7)
C19 C2 B8 120.44(10)
C19 C2 B7 118.74(10)
B8 C2 B7 62.26(8)
C19 C2 B6 119.04(9)
B8 C2 B6 111.73(10)
B7 C2 B6 61.86(8)
C19 C2 B3 120.71(10)
B8 C2 B3 61.73(8)
B7 C2 B3 112.34(9)
B6 C2 B3 110.16(9)
C19 C2 C1 122.24(9)
B8 C2 C1 108.82(9)
B7 C2 C1 109.47(9)
B6 C2 C1 59.84(7)
B3 C2 C1 59.59(7)
C18 C13 C14 117.64(13)
C18 C13 C1 121.99(12)
C14 C13 C1 119.86(11)
C15 C14 C13 121.15(14)
C15 C14 H14 119.4
C13 C14 H14 119.4
C16 C15 C14 120.44(16)
C16 C15 H15 119.8
C14 C15 H15 119.8
C17 C16 C15 119.47(16)
C17 C16 H16 120.3
C15 C16 H16 120.3
C16 C17 C18 120.45(16)
C16 C17 H17 119.8
C18 C17 H17 119.8
C17 C18 C13 120.84(15)
C17 C18 H18 119.6
C13 C18 H18 119.6
C24 C19 C20 117.71(13)
C24 C19 C2 122.15(11)
C20 C19 C2 120.00(11)
C21 C20 C19 120.59(13)
C21 C20 H20 119.7
C19 C20 H20 119.7
C22 C21 C20 120.96(14)
C22 C21 H21 119.5
C20 C21 H21 119.5
C21 C22 C23 119.06(15)
C21 C22 H22 120.5
C23 C22 H22 120.5
C22 C23 C24 120.56(15)
C22 C23 H23 119.7
C24 C23 H23 119.7
C23 C24 C19 121.10(14)
C23 C24 H24 119.4
C19 C24 H24 119.4
C26 C25 C30 116.91(12)
C26 C25 B3 118.43(11)
C30 C25 B3 124.61(11)
C27 C26 C25 121.43(13)
C27 C26 H26 119.3
C25 C26 H26 119.3
C28 C27 C26 120.66(13)
C28 C27 H27 119.7
C26 C27 H27 119.7
C27 C28 C29 119.21(13)
C27 C28 H28 120.4
C29 C28 H28 120.4
C28 C29 C30 120.54(13)
C28 C29 H29 119.7
C30 C29 H29 119.7
C29 C30 C25 121.25(13)
C29 C30 H30 119.4
C25 C30 H30 119.4
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
B3 C25 1.5678(19)
B3 C1 1.7471(18)
B3 C2 1.7536(17)
B3 B9 1.7719(19)
B3 B4 1.781(2)
B3 B8 1.781(2)
B4 C1 1.7179(19)
B4 B9 1.767(2)
B4 B10 1.777(2)
B4 B5 1.780(2)
B4 H4 1.1000
B5 C1 1.7254(19)
B5 B6 1.769(2)
B5 B10 1.769(2)
B5 B11 1.780(2)
B5 H5 1.1000
B6 C2 1.7254(18)
B6 C1 1.7401(18)
B6 B11 1.769(2)
B6 B7 1.773(2)
B6 H6 1.1000
B7 C2 1.7230(19)
B7 B12 1.773(2)
B7 B11 1.775(2)
B7 B8 1.779(2)
B7 H7 1.1000
B8 C2 1.7174(17)
B8 B9 1.768(2)
B8 B12 1.780(2)
B8 H8 1.1000
B9 B10 1.781(2)
B9 B12 1.785(2)
B9 H9 1.1000
B10 B12 1.775(3)
B10 B11 1.779(2)
B10 H10 1.1000
B11 B12 1.779(2)
B11 H11 1.1000
B12 H12 1.1000
C1 C13 1.5187(18)
C1 C2 1.7627(17)
C2 C19 1.5148(17)
C13 C18 1.3956(19)
C13 C14 1.399(2)
C14 C15 1.382(2)
C14 H14 0.9300
C15 C16 1.381(3)
C15 H15 0.9300
C16 C17 1.377(3)
C16 H16 0.9300
C17 C18 1.391(2)
C17 H17 0.9300
C18 H18 0.9300
C19 C24 1.3920(18)
C19 C20 1.3929(18)
C20 C21 1.385(2)
C20 H20 0.9300
C21 C22 1.374(2)
C21 H21 0.9300
C22 C23 1.375(2)
C22 H22 0.9300
C23 C24 1.383(2)
C23 H23 0.9300
C24 H24 0.9300
C25 C26 1.4010(18)
C25 C30 1.4012(18)
C26 C27 1.386(2)
C26 H26 0.9300
C27 C28 1.374(2)
C27 H27 0.9300
C28 C29 1.383(2)
C28 H28 0.9300
C29 C30 1.388(2)
C29 H29 0.9300
C30 H30 0.9300
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
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B5 C1 C13 C14 100.03(14)
B6 C1 C13 C14 171.23(12)
B3 C1 C13 C14 -44.95(17)
C2 C1 C13 C14 -117.85(14)
C18 C13 C14 C15 -0.4(2)
C1 C13 C14 C15 -172.37(14)
C13 C14 C15 C16 -0.1(3)
C14 C15 C16 C17 0.4(3)
C15 C16 C17 C18 -0.2(3)
C16 C17 C18 C13 -0.4(3)
C14 C13 C18 C17 0.6(2)
C1 C13 C18 C17 172.43(15)
B8 C2 C19 C24 153.16(14)
B7 C2 C19 C24 80.23(17)
B6 C2 C19 C24 8.33(19)
B3 C2 C19 C24 -133.69(14)
C1 C2 C19 C24 -62.45(17)
B8 C2 C19 C20 -22.40(18)
B7 C2 C19 C20 -95.33(15)
B6 C2 C19 C20 -167.23(12)
B3 C2 C19 C20 50.75(17)
C1 C2 C19 C20 121.99(13)
C24 C19 C20 C21 0.8(2)
C2 C19 C20 C21 176.60(14)
C19 C20 C21 C22 0.0(3)
C20 C21 C22 C23 -0.5(3)
C21 C22 C23 C24 0.2(3)
C22 C23 C24 C19 0.7(3)
C20 C19 C24 C23 -1.2(3)
C2 C19 C24 C23 -176.84(16)
C1 B3 C25 C26 148.81(12)
C2 B3 C25 C26 -137.75(12)
B9 B3 C25 C26 2.28(19)
B4 B3 C25 C26 76.27(16)
B8 B3 C25 C26 -69.13(16)
C1 B3 C25 C30 -33.99(19)
C2 B3 C25 C30 39.45(18)
B9 B3 C25 C30 179.49(13)
B4 B3 C25 C30 -106.53(15)
B8 B3 C25 C30 108.08(14)
C30 C25 C26 C27 0.1(2)
B3 C25 C26 C27 177.49(13)
C25 C26 C27 C28 -0.5(2)
C26 C27 C28 C29 0.5(2)
C27 C28 C29 C30 0.0(2)
C28 C29 C30 C25 -0.4(2)
C26 C25 C30 C29 0.4(2)
B3 C25 C30 C29 -176.86(13)
