#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:23:24 +0100 (lun 21 de mar de 2016) $
#$Revision: 178605 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/16/4071629.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_4071629
loop_
_publ_author_name
'So, Cheuk-Wai'
'Watanabe, Daisuke'
'Wakamiya, Atsushi'
'Yamaguchi, Shigehiro'
_publ_section_title
;
 Synthesis and Structural Characterization of Pentaarylboroles and Their
 Dianions
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3496
_journal_paper_doi               10.1021/om8002812
_journal_volume                  27
_journal_year                    2008
_chemical_formula_sum            'C37 H30 B Si'
_chemical_formula_weight         513.51
_chemical_melting_point          421
_chemical_name_systematic
; 
1-(4-trimetylsilylphenyl)-
2,3,4,5-tetraphenylborole 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_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                 94.149(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.900(5)
_cell_length_b                   15.875(4)
_cell_length_c                   19.674(5)
_cell_measurement_reflns_used    16702
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.9975
_cell_measurement_theta_min      2.2064
_cell_volume                     5887(3)
_computing_molecular_graphics    'ORTEP 3 for windows'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type
;
Saturn70 CCD (4x4 bin mode) with MicroMax-007
;
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0400
_diffrn_reflns_av_sigmaI/netI    0.0475
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            19415
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.77
_exptl_absorpt_coefficient_mu    0.103
_exptl_absorpt_correction_T_max  0.9979
_exptl_absorpt_correction_T_min  0.9796
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.159
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2168
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.513
_refine_diff_density_min         -0.343
_refine_diff_density_rms         0.049
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     475
_refine_ls_number_reflns         5134
_refine_ls_number_restraints     56
_refine_ls_restrained_S_all      1.120
_refine_ls_R_factor_all          0.0806
_refine_ls_R_factor_gt           0.0633
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0795P)²+6.4952P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1568
_refine_ls_wR_factor_ref         0.1692
_reflns_number_gt                4102
_reflns_number_total             5134
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om8002812-file004.cif
_cod_data_source_block           comp3
_cod_original_cell_volume        5888(3)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4071629
loop_
_symmetry_equiv_pos_as_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'
'-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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
B1 B 0.12108(13) 1.15883(18) 0.36922(12) 0.0250(6) Uani 1 1 d D . .
C1 C 0.12200(12) 1.21959(14) 0.30406(11) 0.0243(5) Uani 1 1 d . A .
C2 C 0.12815(12) 1.29983(14) 0.32771(11) 0.0240(5) Uani 1 1 d . . .
C3 C 0.12941(12) 1.30248(14) 0.40521(11) 0.0239(5) Uani 1 1 d D A .
C4 C 0.12621(12) 1.22388(14) 0.43190(11) 0.0237(5) Uani 1 1 d . A .
C5B C 0.1277(4) 1.0603(4) 0.3735(4) 0.018(2) Uiso 0.4950(17) 1 d PD A 2
C6B C 0.1722(4) 1.0260(4) 0.4290(4) 0.0243(14) Uani 0.4950(17) 1 d PD A 2
H39 H 0.1965 1.0624 0.4611 0.029 Uiso 0.4950(17) 1 calc PR A 2
C7B C 0.1793(3) 0.9400(3) 0.4354(3) 0.0252(10) Uani 0.4950(17) 1 d PD A 2
H40 H 0.2107 0.9179 0.4708 0.030 Uiso 0.4950(17) 1 calc PR A 2
C8B C 0.1419(4) 0.8846(4) 0.3916(4) 0.0225(14) Uani 0.4950(17) 1 d PD A 2
C9B C 0.0967(4) 0.9204(4) 0.3388(4) 0.0235(15) Uani 0.4950(17) 1 d PD A 2
H41 H 0.0693 0.8848 0.3084 0.028 Uiso 0.4950(17) 1 calc PR A 2
C10B C 0.0922(3) 1.0072(4) 0.3312(3) 0.0280(14) Uani 0.4950(17) 1 d PD A 2
H42 H 0.0628 1.0295 0.2944 0.034 Uiso 0.4950(17) 1 calc PR A 2
Si1B Si 0.15304(7) 0.76725(8) 0.40271(7) 0.0250(4) Uani 0.4950(17) 1 d P A 2
C11B C 0.2236(3) 0.7505(3) 0.4743(3) 0.0405(13) Uani 0.4950(17) 1 d P . 2
C12 C 0.06456(14) 0.72436(16) 0.42769(14) 0.0379(6) Uani 1 1 d . . .
H57 H 0.0524 0.7508 0.4703 0.057 Uiso 0.4950(17) 1 calc PR A 2
H58 H 0.0682 0.6632 0.4341 0.057 Uiso 0.4950(17) 1 calc PR A 2
H59 H 0.0276 0.7369 0.3916 0.057 Uiso 0.4950(17) 1 calc PR A 2
H60 H 0.1020 0.7379 0.4631 0.057 Uiso 0.5050(17) 1 calc PR A 1
H61 H 0.0602 0.6631 0.4232 0.057 Uiso 0.5050(17) 1 calc PR A 1
H62 H 0.0194 0.7480 0.4402 0.057 Uiso 0.5050(17) 1 calc PR A 1
C13 C 0.17615(14) 0.71970(15) 0.32498(13) 0.0355(6) Uani 1 1 d . . .
H63 H 0.1383 0.7299 0.2892 0.053 Uiso 0.4950(17) 1 calc PR A 2
H64 H 0.1822 0.6589 0.3317 0.053 Uiso 0.4950(17) 1 calc PR A 2
H65 H 0.2206 0.7442 0.3114 0.053 Uiso 0.4950(17) 1 calc PR A 2
H66 H 0.1894 0.7429 0.2815 0.053 Uiso 0.5050(17) 1 calc PR A 1
H67 H 0.1710 0.6584 0.3210 0.053 Uiso 0.5050(17) 1 calc PR A 1
H68 H 0.2131 0.7331 0.3609 0.053 Uiso 0.5050(17) 1 calc PR A 1
C14 C 0.11582(12) 1.19343(14) 0.23207(11) 0.0245(5) Uani 1 1 d . . .
C15 C 0.15511(12) 1.12503(14) 0.21000(12) 0.0278(5) Uani 1 1 d . A .
H17 H 0.1874 1.0969 0.2416 0.033 Uiso 1 1 calc R . .
C16 C 0.14772(13) 1.09776(15) 0.14328(12) 0.0323(6) Uani 1 1 d . . .
H18 H 0.1751 1.0515 0.1293 0.039 Uiso 1 1 calc R A .
C17 C 0.10069(13) 1.13728(16) 0.09663(12) 0.0345(6) Uani 1 1 d . A .
H19 H 0.0954 1.1180 0.0508 0.041 Uiso 1 1 calc R . .
C18 C 0.06120(13) 1.20540(17) 0.11709(12) 0.0338(6) Uani 1 1 d . . .
H20 H 0.0290 1.2331 0.0851 0.041 Uiso 1 1 calc R A .
C19 C 0.06872(12) 1.23293(15) 0.18392(11) 0.0285(5) Uani 1 1 d . A .
H21 H 0.0414 1.2795 0.1974 0.034 Uiso 1 1 calc R . .
C20 C 0.13484(12) 1.37710(14) 0.28632(11) 0.0269(5) Uani 1 1 d . A .
C21 C 0.18885(13) 1.38344(15) 0.24215(11) 0.0298(5) Uani 1 1 d . . .
H22 H 0.2202 1.3373 0.2380 0.036 Uiso 1 1 calc R A .
C22 C 0.19787(15) 1.45553(16) 0.20421(13) 0.0374(6) Uani 1 1 d . A .
H23 H 0.2357 1.4590 0.1751 0.045 Uiso 1 1 calc R . .
C23 C 0.15184(15) 1.52230(16) 0.20869(13) 0.0395(7) Uani 1 1 d . . .
H24 H 0.1574 1.5718 0.1825 0.047 Uiso 1 1 calc R A .
C24 C 0.09758(16) 1.51635(17) 0.25164(16) 0.0480(8) Uani 1 1 d . A .
H25 H 0.0654 1.5620 0.2545 0.058 Uiso 1 1 calc R . .
C25 C 0.08918(15) 1.44512(16) 0.29067(14) 0.0410(7) Uani 1 1 d . . .
H26 H 0.0520 1.4427 0.3206 0.049 Uiso 1 1 calc R A .
C26B C 0.1336(14) 1.3862(13) 0.4395(17) 0.021(4) Uani 0.46(3) 1 d PDU A 4
C27B C 0.1943(9) 1.4381(8) 0.4377(8) 0.025(2) Uani 0.46(3) 1 d PD A 4
H43 H 0.2316 1.4220 0.4106 0.030 Uiso 0.46(3) 1 calc PR A 4
C28B C 0.2000(8) 1.5121(6) 0.4750(6) 0.026(2) Uani 0.46(3) 1 d PD A 4
H44 H 0.2384 1.5493 0.4688 0.031 Uiso 0.46(3) 1 calc PR A 4
C29B C 0.1510(8) 1.5326(9) 0.5208(6) 0.028(3) Uani 0.46(3) 1 d PDU A 4
H45 H 0.1541 1.5850 0.5441 0.034 Uiso 0.46(3) 1 calc PR A 4
C30B C 0.0973(9) 1.4769(12) 0.5329(11) 0.025(3) Uani 0.46(3) 1 d PD A 4
H46 H 0.0659 1.4872 0.5676 0.030 Uiso 0.46(3) 1 calc PR A 4
C31B C 0.0908(15) 1.4052(16) 0.4923(13) 0.032(5) Uani 0.46(3) 1 d PD A 4
H47 H 0.0545 1.3662 0.5012 0.038 Uiso 0.46(3) 1 calc PR A 4
C32 C 0.12944(12) 1.20124(13) 0.50520(11) 0.0239(5) Uani 1 1 d . . .
C33 C 0.17634(12) 1.24087(14) 0.55384(11) 0.0263(5) Uani 1 1 d . A .
H34 H 0.2059 1.2851 0.5400 0.032 Uiso 1 1 calc R . .
C34 C 0.18008(13) 1.21642(16) 0.62153(12) 0.0317(6) Uani 1 1 d . . .
H35 H 0.2119 1.2441 0.6538 0.038 Uiso 1 1 calc R A .
C35 C 0.13726(14) 1.15140(16) 0.64245(12) 0.0355(6) Uani 1 1 d . A .
H36 H 0.1403 1.1340 0.6888 0.043 Uiso 1 1 calc R . .
C36 C 0.09036(14) 1.11239(16) 0.59540(13) 0.0346(6) Uani 1 1 d . . .
H37 H 0.0604 1.0687 0.6096 0.042 Uiso 1 1 calc R A .
C37 C 0.08679(13) 1.13657(14) 0.52777(12) 0.0288(5) Uani 1 1 d . A .
H38 H 0.0547 1.1086 0.4959 0.035 Uiso 1 1 calc R . .
C5A C 0.1099(4) 1.0681(4) 0.3674(4) 0.031(2) Uani 0.5050(17) 1 d PD A 1
C6A C 0.1467(4) 1.0111(4) 0.4108(3) 0.0240(15) Uani 0.5050(17) 1 d PD A 1
H48 H 0.1769 1.0334 0.4472 0.029 Uiso 0.5050(17) 1 calc PR A 1
C7A C 0.1421(4) 0.9241(4) 0.4047(3) 0.0247(14) Uani 0.5050(17) 1 d PD A 1
H49 H 0.1699 0.8896 0.4358 0.030 Uiso 0.5050(17) 1 calc PR A 1
C8A C 0.0980(4) 0.8865(4) 0.3540(4) 0.0195(14) Uani 0.5050(17) 1 d PD A 1
C9A C 0.0586(3) 0.9412(3) 0.3086(3) 0.0251(10) Uani 0.5050(17) 1 d PD A 1
H50 H 0.0270 0.9178 0.2739 0.030 Uiso 0.5050(17) 1 calc PR A 1
C10A C 0.0651(3) 1.0271(4) 0.3135(3) 0.0257(13) Uani 0.5050(17) 1 d PD A 1
H51 H 0.0394 1.0612 0.2806 0.031 Uiso 0.5050(17) 1 calc PR A 1
C11A C 0.0145(3) 0.7423(3) 0.2802(3) 0.0356(12) Uani 0.5050(17) 1 d P . 1
Si1A Si 0.08681(6) 0.76860(7) 0.34778(6) 0.0225(4) Uani 0.5050(17) 1 d P A 1
C26A C 0.1313(14) 1.3815(10) 0.4463(14) 0.028(5) Uani 0.54(3) 1 d PD A 3
C27A C 0.1734(8) 1.4498(7) 0.4256(7) 0.028(2) Uani 0.54(3) 1 d PD A 3
H52 H 0.2026 1.4436 0.3886 0.033 Uiso 0.54(3) 1 calc PR A 3
C28A C 0.1712(9) 1.5253(6) 0.4601(5) 0.035(2) Uani 0.54(3) 1 d PD A 3
H53 H 0.2008 1.5705 0.4482 0.043 Uiso 0.54(3) 1 calc PR A 3
C29A C 0.1264(8) 1.5358(8) 0.5118(5) 0.032(2) Uani 0.54(3) 1 d PD A 3
H54 H 0.1280 1.5862 0.5379 0.038 Uiso 0.54(3) 1 calc PR A 3
C30A C 0.0797(8) 1.4730(10) 0.5251(9) 0.025(2) Uani 0.54(3) 1 d PDU A 3
H55 H 0.0457 1.4827 0.5576 0.030 Uiso 0.54(3) 1 calc PR A 3
C31A C 0.0807(11) 1.3955(12) 0.4925(9) 0.019(2) Uani 0.54(3) 1 d PDU A 3
H56 H 0.0474 1.3530 0.5017 0.023 Uiso 0.54(3) 1 calc PR A 3
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'
Si Si 0.0817 0.0704 '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
C5A B1 C5B 13.4(4) .
C5A B1 C1 125.8(3) .
C5B B1 C1 129.5(4) .
C5A B1 C4 131.0(3) .
C5B B1 C4 126.8(3) .
C1 B1 C4 102.9(2) .
C2 C1 C14 126.4(2) .
C2 C1 B1 107.20(19) .
C14 C1 B1 126.4(2) .
C1 C2 C20 126.6(2) .
C1 C2 C3 111.30(19) .
C20 C2 C3 122.06(18) .
C4 C3 C26B 130.4(14) .
C4 C3 C26A 124.3(11) .
C26B C3 C26A 6(2) .
C4 C3 C2 111.35(19) .
C26B C3 C2 118.3(14) .
C26A C3 C2 124.3(12) .
C3 C4 C32 126.8(2) .
C3 C4 B1 107.2(2) .
C32 C4 B1 125.92(19) .
C10B C5B C6B 118.4(7) .
C10B C5B B1 124.2(6) .
C6B C5B B1 117.3(5) .
C7B C6B C5B 119.5(6) .
C6B C7B C8B 122.0(5) .
C7B C8B C9B 117.0(5) .
C7B C8B Si1B 120.5(5) .
C9B C8B Si1B 122.6(6) .
C10B C9B C8B 120.5(6) .
C5B C10B C9B 122.5(7) .
C13 Si1B C8B 110.5(2) .
C13 Si1B C11B 112.1(2) .
C8B Si1B C11B 107.0(3) .
C13 Si1B C12 110.09(14) .
C8B Si1B C12 106.9(2) .
C11B Si1B C12 110.1(2) .
C11B C11B Si1B 172.4(6) 7_566
Si1A C12 Si1B 50.90(9) .
Si1B C13 Si1A 50.42(9) .
C19 C14 C15 117.5(2) .
C19 C14 C1 121.8(2) .
C15 C14 C1 120.6(2) .
C16 C15 C14 121.2(2) .
C15 C16 C17 120.4(2) .
C16 C17 C18 119.6(2) .
C19 C18 C17 120.0(2) .
C18 C19 C14 121.2(2) .
C25 C20 C21 118.0(2) .
C25 C20 C2 122.1(2) .
C21 C20 C2 119.9(2) .
C22 C21 C20 121.4(2) .
C23 C22 C21 119.9(2) .
C22 C23 C24 119.2(2) .
C23 C24 C25 121.1(3) .
C24 C25 C20 120.3(2) .
C31B C26B C27B 114.1(16) .
C31B C26B C3 121.0(14) .
C27B C26B C3 121.6(12) .
C28B C27B C26B 120.9(11) .
C29B C28B C27B 121.0(10) .
C30B C29B C28B 120.0(13) .
C29B C30B C31B 117.4(18) .
C30B C31B C26B 124.9(19) .
C37 C32 C33 117.6(2) .
C37 C32 C4 120.2(2) .
C33 C32 C4 122.2(2) .
C34 C33 C32 121.0(2) .
C33 C34 C35 120.1(2) .
C36 C35 C34 119.5(2) .
C35 C36 C37 120.3(2) .
C36 C37 C32 121.4(2) .
C6A C5A B1 124.2(6) .
C6A C5A C10A 113.1(6) .
B1 C5A C10A 122.3(5) .
C7A C6A C5A 124.5(6) .
C8A C7A C6A 121.4(6) .
C7A C8A C9A 116.8(5) .
C7A C8A Si1A 122.1(6) .
C9A C8A Si1A 121.0(5) .
C10A C9A C8A 121.6(5) .
C9A C10A C5A 122.6(6) .
C11A C11A Si1A 154.3(5) 2
C12 Si1A C11A 109.08(19) .
C12 Si1A C8A 111.3(2) .
C11A Si1A C8A 109.7(3) .
C12 Si1A C13 107.94(13) .
C11A Si1A C13 110.33(18) .
C8A Si1A C13 108.5(2) .
C31A C26A C27A 119.5(12) .
C31A C26A C3 120.1(11) .
C27A C26A C3 118.5(11) .
C28A C27A C26A 118.9(9) .
C29A C28A C27A 120.7(9) .
C30A C29A C28A 119.5(11) .
C29A C30A C31A 121.7(16) .
C26A C31A C30A 118.7(16) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
B1 C5A 1.455(7) .
B1 C5B 1.571(8) .
B1 C1 1.605(3) .
B1 C4 1.606(3) .
C1 C2 1.358(3) .
C1 C14 1.473(3) .
C2 C20 1.483(3) .
C2 C3 1.524(3) .
C3 C4 1.357(3) .
C3 C26B 1.490(11) .
C3 C26A 1.491(10) .
C4 C32 1.483(3) .
C5B C10B 1.332(9) .
C5B C6B 1.436(9) .
C6B C7B 1.376(8) .
C7B C8B 1.388(8) .
C8B C9B 1.415(9) .
C8B Si1B 1.886(6) .
C9B C10B 1.387(9) .
Si1B C13 1.788(3) .
Si1B C11B 1.886(5) .
Si1B C12 1.903(3) .
C11B C11B 1.370(10) 7_566
C12 Si1A 1.799(3) .
C13 Si1A 1.940(3) .
C14 C19 1.400(3) .
C14 C15 1.402(3) .
C15 C16 1.380(3) .
C16 C17 1.381(4) .
C17 C18 1.390(4) .
C18 C19 1.383(3) .
C20 C25 1.389(3) .
C20 C21 1.391(3) .
C21 C22 1.384(3) .
C22 C23 1.378(4) .
C23 C24 1.378(4) .
C24 C25 1.382(4) .
C26B C31B 1.394(13) .
C26B C27B 1.415(13) .
C27B C28B 1.384(11) .
C28B C29B 1.379(11) .
C29B C30B 1.378(12) .
C30B C31B 1.392(12) .
C32 C37 1.397(3) .
C32 C33 1.405(3) .
C33 C34 1.384(3) .
C34 C35 1.392(4) .
C35 C36 1.381(4) .
C36 C37 1.382(3) .
C5A C6A 1.395(9) .
C5A C10A 1.461(9) .
C6A C7A 1.388(8) .
C7A C8A 1.388(10) .
C8A C9A 1.417(7) .
C8A Si1A 1.887(6) .
C9A C10A 1.372(8) .
C11A C11A 1.272(10) 2
C11A Si1A 1.883(5) .
C26A C31A 1.384(11) .
C26A C27A 1.423(12) .
C27A C28A 1.379(9) .
C28A C29A 1.378(10) .
C29A C30A 1.370(11) .
C30A C31A 1.388(10) .
