#------------------------------------------------------------------------------
#$Date: 2024-01-06 09:30:12 +0200 (Sat, 06 Jan 2024) $
#$Revision: 288759 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/03/1570343.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_1570343
loop_
_publ_author_name
'Turnbull, Douglas'
'Légaré, Marc-André'
_publ_section_title
;
 Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from
 crystalline aryldifluoroboranes.
;
_journal_issue                   48
_journal_name_full               'Chemical science'
_journal_page_first              14256
_journal_page_last               14261
_journal_paper_doi               10.1039/d3sc05071h
_journal_volume                  14
_journal_year                    2023
_chemical_formula_moiety         'C30 H33 B'
_chemical_formula_sum            'C30 H33 B'
_chemical_formula_weight         404.421
_chemical_name_systematic
mesityl(1-naphthyl)(2,3,4,5,6-pentamethylphenyl)borane
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_Int_Tables_number      2
_atom_sites_solution_primary     dual
_audit_creation_date             2023-09-03
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.17 svn.r577a77a9 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2023-09-26 deposited with the CCDC.	2023-11-17 downloaded from the CCDC.
;
_cell_angle_alpha                91.817(2)
_cell_angle_beta                 104.952(2)
_cell_angle_gamma                109.094(2)
_cell_formula_units_Z            2
_cell_length_a                   10.1157(3)
_cell_length_b                   10.3180(3)
_cell_length_c                   12.9562(4)
_cell_measurement_reflns_used    4405
_cell_measurement_temperature    298.15
_cell_measurement_theta_max      71.879
_cell_measurement_theta_min      4.572
_cell_volume                     1224.60(7)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298.15
_diffrn_measured_fraction_theta_full 0.9939
_diffrn_measured_fraction_theta_max 0.9906
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0547
_diffrn_reflns_av_unetI/netI     0.0280
_diffrn_reflns_Laue_measured_fraction_full 0.9939
_diffrn_reflns_Laue_measured_fraction_max 0.9906
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            24134
_diffrn_reflns_point_group_measured_fraction_full 0.9939
_diffrn_reflns_point_group_measured_fraction_max 0.9906
_diffrn_reflns_theta_full        67.6786
_diffrn_reflns_theta_max         74.54
_diffrn_reflns_theta_min         3.56
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.451
_exptl_absorpt_correction_T_max  0.7538
_exptl_absorpt_correction_T_min  0.5933
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1391 before and 0.0420 after correction.
The Ratio of minimum to maximum transmission is 0.7871.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.097
_exptl_crystal_description       plate
_exptl_crystal_F_000             437.171
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.2003
_refine_diff_density_min         -0.1901
_refine_diff_density_rms         0.0350
_refine_ls_d_res_high            0.7998
_refine_ls_d_res_low             12.4159
_refine_ls_extinction_coef       0.020(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_goodness_of_fit_ref   1.0601
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    50
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4953
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.0601
_refine_ls_R_factor_all          0.0961
_refine_ls_R_factor_gt           0.0700
_refine_ls_shift/su_max          -0.0007
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1702P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2195
_refine_ls_wR_factor_ref         0.2649
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              12
_reflns_limit_h_min              -12
_reflns_limit_k_max              12
_reflns_limit_k_min              -12
_reflns_limit_l_max              16
_reflns_limit_l_min              0
_reflns_number_gt                3049
_reflns_number_total             4953
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            d3sc05071h2.cif
_cod_data_source_block           5b_BPNM
_cod_depositor_comments
'Adding full bibliography for 1570333--1570346.cif.'
_cod_database_code               1570343
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C14(H14), C16(H16), C22(H22), C23(H23), C24(H24), C26(H26), C27(H27),
 C28(H28), C29(H29)
2.b Idealised Me refined as rotating group:
 C7(H7a,H7b,H7c), C8(H8a,H8b,H8c), C9(H9a,H9b,H9c), C10(H10a,H10b,H10c),
 C11(H11a,H11b,H11c), C18(H18a,H18b,H18c), C19(H19a,H19b,H19c), C20(H20a,H20b,
 H20c)
;
_olex2_submission_special_instructions 'No special instructions were received'
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_refinement_flags_posn
C1 C 0.5986(2) 0.2919(2) 0.34944(15) 0.0819(5) Uani 1.000000 .
C2 C 0.4915(2) 0.1597(2) 0.31623(18) 0.0877(6) Uani 1.000000 .
C3 C 0.4041(2) 0.0998(2) 0.3835(2) 0.1004(7) Uani 1.000000 .
C4 C 0.4282(3) 0.1710(3) 0.4846(2) 0.1092(8) Uani 1.000000 .
C5 C 0.5376(3) 0.2993(3) 0.51881(18) 0.1030(7) Uani 1.000000 .
C6 C 0.6209(2) 0.3605(2) 0.45119(16) 0.0907(6) Uani 1.000000 .
C7 C 0.4684(3) 0.0838(3) 0.2091(2) 0.1083(8) Uani 1.000000 .
H7a H 0.5346(17) 0.1397(10) 0.1732(8) 0.1624(11) Uiso 1.000000 GR
H7b H 0.486(2) -0.0015(11) 0.2193(2) 0.1624(11) Uiso 1.000000 GR
H7c H 0.3699(8) 0.065(2) 0.1660(7) 0.1624(11) Uiso 1.000000 GR
C8 C 0.2895(3) -0.0420(3) 0.3463(3) 0.1403(12) Uani 1.000000 .
H8a H 0.284(2) -0.0717(14) 0.2740(9) 0.2105(18) Uiso 1.000000 GR
H8b H 0.3147(17) -0.1061(7) 0.3929(15) 0.2105(18) Uiso 1.000000 GR
H8c H 0.1965(7) -0.0387(7) 0.349(2) 0.2105(18) Uiso 1.000000 GR
C9 C 0.3335(4) 0.1045(5) 0.5558(3) 0.1609(16) Uani 1.000000 .
H9a H 0.304(3) 0.1724(9) 0.587(2) 0.241(2) Uiso 1.000000 GR
H9b H 0.2486(19) 0.031(2) 0.5134(6) 0.241(2) Uiso 1.000000 GR
H9c H 0.3880(13) 0.068(3) 0.6123(16) 0.241(2) Uiso 1.000000 GR
C10 C 0.5715(5) 0.3745(4) 0.6303(2) 0.1514(13) Uani 1.000000 .
H10a H 0.6692(14) 0.385(3) 0.6708(10) 0.227(2) Uiso 1.000000 GR
H10b H 0.562(4) 0.4639(15) 0.6240(2) 0.227(2) Uiso 1.000000 GR
H10c H 0.504(2) 0.3219(18) 0.6667(11) 0.227(2) Uiso 1.000000 GR
C11 C 0.7385(3) 0.5004(3) 0.4905(2) 0.1166(9) Uani 1.000000 .
H11a H 0.7874(17) 0.5286(11) 0.4362(8) 0.1749(13) Uiso 1.000000 GR
H11b H 0.6955(4) 0.5666(6) 0.5050(18) 0.1749(13) Uiso 1.000000 GR
H11c H 0.8076(14) 0.4949(6) 0.5552(11) 0.1749(13) Uiso 1.000000 GR
C12 C 0.69866(19) 0.4993(2) 0.22976(15) 0.0797(5) Uani 1.000000 .
C13 C 0.5674(2) 0.5160(2) 0.17254(14) 0.0794(5) Uani 1.000000 .
C14 C 0.5696(2) 0.6413(2) 0.13409(15) 0.0871(6) Uani 1.000000 .
H14 H 0.4823(2) 0.6488(2) 0.09430(15) 0.1045(7) Uiso 1.000000 R
C15 C 0.6960(3) 0.7546(2) 0.15260(17) 0.0914(6) Uani 1.000000 .
C16 C 0.8234(2) 0.7387(2) 0.20993(18) 0.0951(6) Uani 1.000000 .
H16 H 0.9098(2) 0.8141(2) 0.22470(18) 0.1142(8) Uiso 1.000000 R
C17 C 0.8290(2) 0.6144(2) 0.24695(18) 0.0926(6) Uani 1.000000 .
C18 C 0.4220(2) 0.4009(2) 0.14716(18) 0.0953(6) Uani 1.000000 .
H18a H 0.4243(7) 0.3239(8) 0.1050(13) 0.1430(10) Uiso 1.000000 GR
H18b H 0.4019(10) 0.3726(13) 0.21303(18) 0.1430(10) Uiso 1.000000 GR
H18c H 0.3470(3) 0.4327(6) 0.1072(13) 0.1430(10) Uiso 1.000000 GR
C19 C 0.6955(4) 0.8889(3) 0.1122(2) 0.1176(8) Uani 1.000000 .
H19a H 0.721(3) 0.9581(7) 0.1722(3) 0.1764(13) Uiso 1.000000 GR
H19b H 0.7652(19) 0.9173(13) 0.0719(17) 0.1764(13) Uiso 1.000000 GR
H19c H 0.6000(7) 0.8774(7) 0.0667(16) 0.1764(13) Uiso 1.000000 GR
C20 C 0.9763(3) 0.6114(3) 0.3077(3) 0.1267(10) Uani 1.000000 .
H20a H 0.9702(8) 0.573(3) 0.3735(10) 0.1901(15) Uiso 1.000000 GR
H20b H 1.0065(13) 0.556(2) 0.2644(9) 0.1901(15) Uiso 1.000000 GR
H20c H 1.0460(7) 0.7038(4) 0.324(2) 0.1901(15) Uiso 1.000000 GR
C21 C 0.8109(2) 0.2887(2) 0.26154(19) 0.0919(6) Uani 1.000000 .
C22 C 0.8750(3) 0.2362(2) 0.3513(2) 0.1122(8) Uani 1.000000 .
H22 H 0.8393(3) 0.2325(2) 0.4109(2) 0.1346(10) Uiso 1.000000 R
C23 C 0.9906(4) 0.1889(3) 0.3553(4) 0.1518(15) Uani 1.000000 .
H23 H 1.0328(4) 0.1564(3) 0.4168(4) 0.1822(18) Uiso 1.000000 R
C24 C 1.0410(3) 0.1920(3) 0.2645(4) 0.1452(13) Uani 1.000000 .
H24 H 1.1203(3) 0.1642(3) 0.2672(4) 0.1742(16) Uiso 1.000000 R
C25 C 0.9772(3) 0.2347(3) 0.1709(3) 0.1240(10) Uani 1.000000 .
C26 C 1.0227(4) 0.2300(4) 0.0757(5) 0.1622(16) Uani 1.000000 .
H26 H 1.0990(4) 0.1982(4) 0.0764(5) 0.1946(19) Uiso 1.000000 R
C27 C 0.9571(6) 0.2706(6) -0.0148(5) 0.1818(17) Uani 1.000000 .
H27 H 0.9876(6) 0.2656(6) -0.0762(5) 0.218(2) Uiso 1.000000 R
C28 C 0.8454(5) 0.3196(5) -0.0174(3) 0.1617(14) Uani 1.000000 .
H28 H 0.8022(5) 0.3489(5) -0.0803(3) 0.1941(17) Uiso 1.000000 R
C29 C 0.7969(3) 0.3257(3) 0.0713(2) 0.1193(9) Uani 1.000000 .
H29 H 0.7198(3) 0.3574(3) 0.0671(2) 0.1432(10) Uiso 1.000000 R
C30 C 0.8604(2) 0.2856(2) 0.1676(2) 0.1027(7) Uani 1.000000 .
B1 B 0.6998(2) 0.3596(2) 0.27636(18) 0.0819(6) Uani 1.000000 .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
B 0.00925 0.00394 2.05450 1.33260 1.09790 0.70680 23.21850 1.02100 60.34980
0.14030 -0.19320 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
C 0.01788 0.00908 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.21560 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.00304 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
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
_geom_angle_publ_flag
C6 C1 C2 119.29(19) . . ?
B1 C1 C2 120.60(18) . . ?
B1 C1 C6 120.01(18) . . ?
C3 C2 C1 119.8(2) . . ?
C7 C2 C1 120.04(19) . . ?
C7 C2 C3 120.1(2) . . ?
C4 C3 C2 119.7(2) . . ?
C8 C3 C2 119.1(3) . . ?
C8 C3 C4 121.2(2) . . ?
C5 C4 C3 120.4(2) . . ?
C9 C4 C3 118.9(3) . . ?
C9 C4 C5 120.8(3) . . ?
C6 C5 C4 120.0(2) . . ?
C10 C5 C4 121.3(3) . . ?
C10 C5 C6 118.7(3) . . ?
C5 C6 C1 120.8(2) . . ?
C11 C6 C1 120.4(2) . . ?
C11 C6 C5 118.8(2) . . ?
H7a C7 C2 109.5 . . ?
H7b C7 C2 109.5 . . ?
H7b C7 H7a 109.5 . . ?
H7c C7 C2 109.5 . . ?
H7c C7 H7a 109.5 . . ?
H7c C7 H7b 109.5 . . ?
H8a C8 C3 109.5 . . ?
H8b C8 C3 109.5 . . ?
H8b C8 H8a 109.5 . . ?
H8c C8 C3 109.5 . . ?
H8c C8 H8a 109.5 . . ?
H8c C8 H8b 109.5 . . ?
H9a C9 C4 109.5 . . ?
H9b C9 C4 109.5 . . ?
H9b C9 H9a 109.5 . . ?
H9c C9 C4 109.5 . . ?
H9c C9 H9a 109.5 . . ?
H9c C9 H9b 109.5 . . ?
H10a C10 C5 109.5 . . ?
H10b C10 C5 109.5 . . ?
H10b C10 H10a 109.5 . . ?
H10c C10 C5 109.5 . . ?
H10c C10 H10a 109.5 . . ?
H10c C10 H10b 109.5 . . ?
H11a C11 C6 109.5 . . ?
H11b C11 C6 109.5 . . ?
H11b C11 H11a 109.5 . . ?
H11c C11 C6 109.5 . . ?
H11c C11 H11a 109.5 . . ?
H11c C11 H11b 109.5 . . ?
C17 C12 C13 117.23(18) . . ?
B1 C12 C13 121.47(16) . . ?
B1 C12 C17 121.27(17) . . ?
C14 C13 C12 120.13(17) . . ?
C18 C13 C12 122.41(18) . . ?
C18 C13 C14 117.43(18) . . ?
H14 C14 C13 118.60(11) . . ?
C15 C14 C13 122.80(19) . . ?
C15 C14 H14 118.60(13) . . ?
C16 C15 C14 116.9(2) . . ?
C19 C15 C14 121.9(2) . . ?
C19 C15 C16 121.2(2) . . ?
H16 C16 C15 118.50(13) . . ?
C17 C16 C15 123.00(19) . . ?
C17 C16 H16 118.50(12) . . ?
C16 C17 C12 119.88(19) . . ?
C20 C17 C12 122.8(2) . . ?
C20 C17 C16 117.30(19) . . ?
H18a C18 C13 109.5 . . ?
H18b C18 C13 109.5 . . ?
H18b C18 H18a 109.5 . . ?
H18c C18 C13 109.5 . . ?
H18c C18 H18a 109.5 . . ?
H18c C18 H18b 109.5 . . ?
H19a C19 C15 109.5 . . ?
H19b C19 C15 109.5 . . ?
H19b C19 H19a 109.5 . . ?
H19c C19 C15 109.5 . . ?
H19c C19 H19a 109.5 . . ?
H19c C19 H19b 109.5 . . ?
H20a C20 C17 109.5 . . ?
H20b C20 C17 109.5 . . ?
H20b C20 H20a 109.5 . . ?
H20c C20 C17 109.5 . . ?
H20c C20 H20a 109.5 . . ?
H20c C20 H20b 109.5 . . ?
C30 C21 C22 118.1(2) . . ?
B1 C21 C22 116.4(2) . . ?
B1 C21 C30 125.2(2) . . ?
H22 C22 C21 118.64(16) . . ?
C23 C22 C21 122.7(3) . . ?
C23 C22 H22 118.6(3) . . ?
H23 C23 C22 120.9(2) . . ?
C24 C23 C22 118.1(3) . . ?
C24 C23 H23 120.9(2) . . ?
H24 C24 C23 118.9(2) . . ?
C25 C24 C23 122.3(3) . . ?
C25 C24 H24 118.9(2) . . ?
C26 C25 C24 122.4(3) . . ?
C30 C25 C24 119.4(3) . . ?
C30 C25 C26 118.2(3) . . ?
H26 C26 C25 119.5(2) . . ?
C27 C26 C25 121.0(3) . . ?
C27 C26 H26 119.5(2) . . ?
H27 C27 C26 119.7(3) . . ?
C28 C27 C26 120.6(4) . . ?
C28 C27 H27 119.7(3) . . ?
H28 C28 C27 119.6(3) . . ?
C29 C28 C27 120.8(4) . . ?
C29 C28 H28 119.6(2) . . ?
H29 C29 C28 119.3(2) . . ?
C30 C29 C28 121.5(3) . . ?
C30 C29 H29 119.26(15) . . ?
C25 C30 C21 119.1(3) . . ?
C29 C30 C21 122.9(2) . . ?
C29 C30 C25 117.9(3) . . ?
C12 B1 C1 121.26(18) . . ?
C21 B1 C1 116.64(18) . . ?
C21 B1 C12 121.87(18) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.405(3) . ?
C1 C6 1.405(3) . ?
C1 B1 1.583(3) . ?
C2 C3 1.413(3) . ?
C2 C7 1.497(3) . ?
C3 C4 1.404(4) . ?
C3 C8 1.508(4) . ?
C4 C5 1.388(4) . ?
C4 C9 1.519(4) . ?
C5 C6 1.394(3) . ?
C5 C10 1.519(4) . ?
C6 C11 1.508(3) . ?
C7 H7a 0.9600 . ?
C7 H7b 0.9600 . ?
C7 H7c 0.9600 . ?
C8 H8a 0.9600 . ?
C8 H8b 0.9600 . ?
C8 H8c 0.9600 . ?
C9 H9a 0.9600 . ?
C9 H9b 0.9600 . ?
C9 H9c 0.9600 . ?
C10 H10a 0.9600 . ?
C10 H10b 0.9600 . ?
C10 H10c 0.9600 . ?
C11 H11a 0.9600 . ?
C11 H11b 0.9600 . ?
C11 H11c 0.9600 . ?
C12 C13 1.412(3) . ?
C12 C17 1.416(3) . ?
C12 B1 1.583(3) . ?
C13 C14 1.396(3) . ?
C13 C18 1.505(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.380(3) . ?
C15 C16 1.376(3) . ?
C15 C19 1.497(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.396(3) . ?
C17 C20 1.505(3) . ?
C18 H18a 0.9600 . ?
C18 H18b 0.9600 . ?
C18 H18c 0.9600 . ?
C19 H19a 0.9600 . ?
C19 H19b 0.9600 . ?
C19 H19c 0.9600 . ?
C20 H20a 0.9600 . ?
C20 H20b 0.9600 . ?
C20 H20c 0.9600 . ?
C21 C22 1.395(3) . ?
C21 C30 1.434(4) . ?
C21 B1 1.574(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.396(5) . ?
C23 H23 0.9300 . ?
C23 C24 1.395(6) . ?
C24 H24 0.9300 . ?
C24 C25 1.377(5) . ?
C25 C26 1.428(6) . ?
C25 C30 1.433(3) . ?
C26 H26 0.9300 . ?
C26 C27 1.342(6) . ?
C27 H27 0.9300 . ?
C27 C28 1.374(6) . ?
C28 H28 0.9300 . ?
C28 C29 1.369(4) . ?
C29 H29 0.9300 . ?
C29 C30 1.390(4) . ?
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
_geom_torsion_publ_flag
C1 C2 C3 C4 -2.1(2) . . . . ?
C1 C2 C3 C8 179.9(2) . . . . ?
C1 C6 C5 C4 -2.0(2) . . . . ?
C1 C6 C5 C10 176.8(2) . . . . ?
C1 B1 C12 C13 -52.0(2) . . . . ?
C1 B1 C12 C17 125.87(19) . . . . ?
C1 B1 C21 C22 -37.0(2) . . . . ?
C1 B1 C21 C30 149.04(17) . . . . ?
C2 C3 C4 C5 -0.2(2) . . . . ?
C2 C3 C4 C9 -179.7(2) . . . . ?
C3 C4 C5 C6 2.3(3) . . . . ?
C3 C4 C5 C10 -176.4(2) . . . . ?
C4 C5 C6 C11 179.8(2) . . . . ?
C12 C13 C14 C15 -2.4(2) . . . . ?
C12 C17 C16 C15 -2.7(3) . . . . ?
C12 B1 C21 C22 137.53(19) . . . . ?
C12 B1 C21 C30 -36.4(2) . . . . ?
C13 C14 C15 C16 1.3(2) . . . . ?
C13 C14 C15 C19 -178.9(2) . . . . ?
C14 C15 C16 C17 1.3(2) . . . . ?
C15 C16 C17 C20 179.4(3) . . . . ?
C21 C22 C23 C24 -1.5(3) . . . . ?
C21 C30 C25 C24 -1.0(3) . . . . ?
C21 C30 C25 C26 178.8(3) . . . . ?
C21 C30 C29 C28 -179.0(3) . . . . ?
C22 C23 C24 C25 -2.5(4) . . . . ?
C23 C24 C25 C26 -176.1(3) . . . . ?
C23 C24 C25 C30 3.7(4) . . . . ?
C24 C25 C26 C27 179.1(4) . . . . ?
C24 C25 C30 C29 -178.9(3) . . . . ?
C25 C26 C27 C28 0.8(4) . . . . ?
C25 C30 C29 C28 -1.2(3) . . . . ?
C26 C27 C28 C29 -1.1(6) . . . . ?
C27 C28 C29 C30 1.3(5) . . . . ?
