#------------------------------------------------------------------------------
#$Date: 2024-04-05 01:25:03 +0300 (Fri, 05 Apr 2024) $
#$Revision: 290797 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/28/7132819.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_7132819
loop_
_publ_author_name
'Wang, Hanqiang'
_publ_section_title
;
 Synthesis, structure and reactivity of iminoborane radicals.
;
_journal_issue                   28
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              3806
_journal_page_last               3809
_journal_paper_doi               10.1039/d4cc00720d
_journal_volume                  60
_journal_year                    2024
_chemical_formula_sum            'C26 H44 B N2 Si'
_chemical_formula_weight         423.53
_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
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-01-31 deposited with the CCDC.	2024-03-08 downloaded from the CCDC.
;
_cell_angle_alpha                106.885(10)
_cell_angle_beta                 100.518(14)
_cell_angle_gamma                90.377(11)
_cell_formula_units_Z            2
_cell_length_a                   10.212(3)
_cell_length_b                   11.708(5)
_cell_length_c                   12.522(4)
_cell_measurement_reflns_used    1011
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      15
_cell_volume                     1405.7(9)
_computing_cell_refinement       'BRUKER D8VENTURE DIFFRACTOMETER'
_computing_data_collection       'BRUKER D8VENTURE DIFFRACTOMETER'
_computing_data_reduction        'BRUKER D8VENTURE DIFFRACTOMETER'
_computing_molecular_graphics    'BRUKER SHELXTL'
_computing_publication_material  'BRUKER SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'BRUKER D8VENTURE DIFFRACTOMETER'
_diffrn_measurement_method       'PHI & OMEGA SCAN'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0383
_diffrn_reflns_av_unetI/netI     0.0234
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            40800
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.249
_diffrn_reflns_theta_min         2.773
_exptl_absorpt_coefficient_mu    0.097
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6784
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.001
_exptl_crystal_description       block
_exptl_crystal_F_000             466
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.698
_refine_diff_density_min         -0.424
_refine_diff_density_rms         0.045
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         5080
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0990
_refine_ls_R_factor_gt           0.0750
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1209P)²+0.8779P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2089
_refine_ls_wR_factor_ref         0.2334
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3727
_reflns_number_total             5080
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4cc00720d2.cif
_cod_data_source_block           whq118
_cod_depositor_comments
'Adding full bibliography for 7132819--7132821.cif.'
_cod_database_code               7132819
_shelx_shelxl_version_number     2018/3
_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   0.953
_shelx_estimated_absorpt_t_max   0.971
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-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_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
Si1 Si 0.82199(9) 0.39381(8) 0.18776(9) 0.0750(3) Uani 1 1 d . . . . .
B1 B 0.7294(3) 0.6308(3) 0.1952(3) 0.0547(7) Uani 1 1 d . . . . .
N1 N 0.6325(2) 0.81847(17) 0.29818(16) 0.0453(5) Uani 1 1 d . . . . .
N2 N 0.7652(3) 0.5260(2) 0.1812(2) 0.0745(8) Uani 1 1 d . . . . .
C1 C 0.6094(2) 0.7675(2) 0.3854(2) 0.0443(6) Uani 1 1 d . . . . .
C2 C 0.4888(3) 0.7019(2) 0.3716(2) 0.0528(6) Uani 1 1 d . . . . .
C3 C 0.4704(3) 0.6562(3) 0.4600(3) 0.0705(9) Uani 1 1 d . . . . .
H3A H 0.390693 0.613665 0.453515 0.085 Uiso 1 1 calc R U . . .
C4 C 0.5667(4) 0.6725(3) 0.5553(3) 0.0747(9) Uani 1 1 d . . . . .
H4A H 0.550835 0.643780 0.613990 0.090 Uiso 1 1 calc R U . . .
C5 C 0.6862(4) 0.7308(3) 0.5646(3) 0.0696(8) Uani 1 1 d . . . . .
H5A H 0.752140 0.738872 0.628690 0.084 Uiso 1 1 calc R U . . .
C6 C 0.7117(3) 0.7785(2) 0.4803(2) 0.0539(7) Uani 1 1 d . . . . .
C7 C 0.3838(3) 0.6728(3) 0.2645(3) 0.0652(8) Uani 1 1 d . . . . .
H7A H 0.409133 0.717937 0.215872 0.078 Uiso 1 1 calc R U . . .
C8 C 0.2456(3) 0.7090(4) 0.2883(4) 0.0946(12) Uani 1 1 d . . . . .
H8A H 0.182055 0.688835 0.217912 0.142 Uiso 1 1 calc R U . . .
H8B H 0.219253 0.667134 0.337284 0.142 Uiso 1 1 calc R U . . .
H8C H 0.248837 0.793595 0.324552 0.142 Uiso 1 1 calc R U . . .
C9 C 0.3778(4) 0.5388(3) 0.1992(4) 0.0922(11) Uani 1 1 d . . . . .
H9A H 0.310422 0.522024 0.131344 0.138 Uiso 1 1 calc R U . . .
H9B H 0.462804 0.518371 0.179159 0.138 Uiso 1 1 calc R U . . .
H9C H 0.356395 0.492517 0.246345 0.138 Uiso 1 1 calc R U . . .
C10 C 0.8491(3) 0.8343(3) 0.4913(3) 0.0672(8) Uani 1 1 d . . . . .
H10A H 0.845420 0.872165 0.430598 0.081 Uiso 1 1 calc R U . . .
C11 C 0.8961(4) 0.9312(4) 0.6053(3) 0.0982(12) Uani 1 1 d . . . . .
H11A H 0.983637 0.963561 0.607693 0.147 Uiso 1 1 calc R U . . .
H11B H 0.835231 0.993931 0.612938 0.147 Uiso 1 1 calc R U . . .
H11C H 0.898930 0.896847 0.666472 0.147 Uiso 1 1 calc R U . . .
C12 C 0.9503(4) 0.7378(4) 0.4738(4) 0.0990(13) Uani 1 1 d . . . . .
H12A H 1.037117 0.774439 0.481016 0.149 Uiso 1 1 calc R U . . .
H12B H 0.952878 0.696601 0.530147 0.149 Uiso 1 1 calc R U . . .
H12C H 0.924330 0.681821 0.399350 0.149 Uiso 1 1 calc R U . . .
C13 C 0.6015(3) 0.9421(2) 0.2944(2) 0.0540(7) Uani 1 1 d . . . . .
C14 C 0.6592(5) 1.0357(3) 0.4063(4) 0.0960(12) Uani 1 1 d . . . . .
H14A H 0.637449 1.113703 0.400751 0.144 Uiso 1 1 calc R U . . .
H14B H 0.622310 1.020382 0.466344 0.144 Uiso 1 1 calc R U . . .
H14C H 0.754463 1.032240 0.422347 0.144 Uiso 1 1 calc R U . . .
C15 C 0.4543(4) 0.9561(3) 0.2690(4) 0.0865(11) Uani 1 1 d . . . . .
H15A H 0.438973 1.036442 0.267453 0.130 Uiso 1 1 calc R U . . .
H15B H 0.415863 0.901077 0.196464 0.130 Uiso 1 1 calc R U . . .
H15C H 0.413926 0.939762 0.326962 0.130 Uiso 1 1 calc R U . . .
C16 C 0.6774(5) 0.9558(3) 0.2042(4) 0.1088(16) Uani 1 1 d . . . . .
H16A H 0.759438 1.004862 0.240368 0.131 Uiso 1 1 calc R U . . .
H16B H 0.623679 0.994885 0.154573 0.131 Uiso 1 1 calc R U . . .
C17 C 0.7098(3) 0.8318(2) 0.1342(2) 0.0490(6) Uani 1 1 d . . . . .
C18 C 0.6896(3) 0.7551(2) 0.2095(2) 0.0479(6) Uani 1 1 d . . . . .
C19 C 0.6248(5) 0.7847(4) 0.0178(3) 0.0957(12) Uani 1 1 d . . . . .
H19A H 0.531667 0.786178 0.024665 0.115 Uiso 1 1 calc R U . . .
H19B H 0.643375 0.702042 -0.014792 0.115 Uiso 1 1 calc R U . . .
C20 C 0.6470(6) 0.8554(5) -0.0632(4) 0.1205(17) Uani 1 1 d . . . . .
H20A H 0.592045 0.818258 -0.137513 0.145 Uiso 1 1 calc R U . . .
H20B H 0.619629 0.936139 -0.035151 0.145 Uiso 1 1 calc R U . . .
C21 C 0.7871(7) 0.8602(5) -0.0740(5) 0.135(2) Uani 1 1 d . . . . .
H21A H 0.799058 0.911183 -0.120709 0.162 Uiso 1 1 calc R U . . .
H21B H 0.811083 0.780623 -0.111616 0.162 Uiso 1 1 calc R U . . .
C22 C 0.8770(5) 0.9075(5) 0.0396(6) 0.130(2) Uani 1 1 d . . . . .
H22A H 0.860828 0.990740 0.072706 0.156 Uiso 1 1 calc R U . . .
H22B H 0.969058 0.903775 0.029890 0.156 Uiso 1 1 calc R U . . .
C23 C 0.8552(4) 0.8364(4) 0.1217(4) 0.0914(12) Uani 1 1 d . . . . .
H23A H 0.882160 0.755627 0.093490 0.110 Uiso 1 1 calc R U . . .
H23B H 0.910811 0.873548 0.195724 0.110 Uiso 1 1 calc R U . . .
C24 C 0.7367(7) 0.3424(6) 0.2858(7) 0.179(3) Uani 1 1 d . . . . .
H24A H 0.767926 0.266595 0.290745 0.269 Uiso 1 1 calc R U . . .
H24B H 0.755848 0.399906 0.359912 0.269 Uiso 1 1 calc R U . . .
H24C H 0.642099 0.334078 0.257523 0.269 Uiso 1 1 calc R U . . .
C25 C 1.0032(4) 0.4065(5) 0.2434(5) 0.1175(15) Uani 1 1 d . . . . .
H25A H 1.032791 0.329579 0.246188 0.176 Uiso 1 1 calc R U . . .
H25B H 1.049012 0.434612 0.194486 0.176 Uiso 1 1 calc R U . . .
H25C H 1.022320 0.461994 0.318572 0.176 Uiso 1 1 calc R U . . .
C26 C 0.7857(6) 0.2826(5) 0.0444(5) 0.157(3) Uani 1 1 d . . . . .
H26A H 0.818672 0.207301 0.049165 0.236 Uiso 1 1 calc R U . . .
H26B H 0.691102 0.272950 0.016396 0.236 Uiso 1 1 calc R U . . .
H26C H 0.828698 0.310151 -0.006476 0.236 Uiso 1 1 calc R U . . .
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'
N N 0.0061 0.0033 '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
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Si1 C25 111.40(19) . . ?
N2 Si1 C24 108.2(2) . . ?
C25 Si1 C24 108.3(3) . . ?
N2 Si1 C26 110.2(2) . . ?
C25 Si1 C26 109.1(3) . . ?
C24 Si1 C26 109.7(4) . . ?
N2 B1 C18 178.3(3) . . ?
C18 N1 C1 121.26(19) . . ?
C18 N1 C13 113.40(19) . . ?
C1 N1 C13 125.32(18) . . ?
B1 N2 Si1 169.7(3) . . ?
C2 C1 C6 120.9(2) . . ?
C2 C1 N1 119.9(2) . . ?
C6 C1 N1 119.2(2) . . ?
C3 C2 C1 117.5(3) . . ?
C3 C2 C7 119.3(3) . . ?
C1 C2 C7 123.1(2) . . ?
C4 C3 C2 121.7(3) . . ?
C4 C3 H3A 119.2 . . ?
C2 C3 H3A 119.2 . . ?
C5 C4 C3 120.0(3) . . ?
C5 C4 H4A 120.0 . . ?
C3 C4 H4A 120.0 . . ?
C4 C5 C6 121.5(3) . . ?
C4 C5 H5A 119.2 . . ?
C6 C5 H5A 119.2 . . ?
C5 C6 C1 118.2(3) . . ?
C5 C6 C10 119.1(3) . . ?
C1 C6 C10 122.7(2) . . ?
C2 C7 C8 112.3(3) . . ?
C2 C7 C9 110.7(3) . . ?
C8 C7 C9 110.0(3) . . ?
C2 C7 H7A 107.9 . . ?
C8 C7 H7A 107.9 . . ?
C9 C7 H7A 107.9 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6 C10 C12 110.3(3) . . ?
C6 C10 C11 113.0(3) . . ?
C12 C10 C11 110.2(3) . . ?
C6 C10 H10A 107.7 . . ?
C12 C10 H10A 107.7 . . ?
C11 C10 H10A 107.7 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N1 C13 C15 112.2(2) . . ?
N1 C13 C14 111.8(2) . . ?
C15 C13 C14 107.6(3) . . ?
N1 C13 C16 101.4(2) . . ?
C15 C13 C16 115.2(3) . . ?
C14 C13 C16 108.5(3) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 C17 109.4(2) . . ?
C13 C16 H16A 109.8 . . ?
C17 C16 H16A 109.8 . . ?
C13 C16 H16B 109.8 . . ?
C17 C16 H16B 109.8 . . ?
H16A C16 H16B 108.3 . . ?
C19 C17 C18 111.8(2) . . ?
C19 C17 C23 108.3(3) . . ?
C18 C17 C23 110.6(2) . . ?
C19 C17 C16 115.1(3) . . ?
C18 C17 C16 102.1(2) . . ?
C23 C17 C16 108.9(3) . . ?
N1 C18 B1 123.2(2) . . ?
N1 C18 C17 110.4(2) . . ?
B1 C18 C17 126.3(2) . . ?
C17 C19 C20 113.7(3) . . ?
C17 C19 H19A 108.8 . . ?
C20 C19 H19A 108.8 . . ?
C17 C19 H19B 108.8 . . ?
C20 C19 H19B 108.8 . . ?
H19A C19 H19B 107.7 . . ?
C21 C20 C19 111.5(4) . . ?
C21 C20 H20A 109.3 . . ?
C19 C20 H20A 109.3 . . ?
C21 C20 H20B 109.3 . . ?
C19 C20 H20B 109.3 . . ?
H20A C20 H20B 108.0 . . ?
C20 C21 C22 111.3(3) . . ?
C20 C21 H21A 109.4 . . ?
C22 C21 H21A 109.4 . . ?
C20 C21 H21B 109.4 . . ?
C22 C21 H21B 109.4 . . ?
H21A C21 H21B 108.0 . . ?
C21 C22 C23 112.1(4) . . ?
C21 C22 H22A 109.2 . . ?
C23 C22 H22A 109.2 . . ?
C21 C22 H22B 109.2 . . ?
C23 C22 H22B 109.2 . . ?
H22A C22 H22B 107.9 . . ?
C17 C23 C22 111.7(3) . . ?
C17 C23 H23A 109.3 . . ?
C22 C23 H23A 109.3 . . ?
C17 C23 H23B 109.3 . . ?
C22 C23 H23B 109.3 . . ?
H23A C23 H23B 107.9 . . ?
Si1 C24 H24A 109.5 . . ?
Si1 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si1 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si1 C25 H25A 109.5 . . ?
Si1 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si1 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si1 C26 H26A 109.5 . . ?
Si1 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si1 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
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
Si1 N2 1.675(3) . ?
Si1 C25 1.844(5) . ?
Si1 C24 1.855(5) . ?
Si1 C26 1.857(5) . ?
B1 N2 1.256(4) . ?
B1 C18 1.482(4) . ?
N1 C18 1.374(3) . ?
N1 C1 1.440(3) . ?
N1 C13 1.495(3) . ?
C1 C2 1.403(4) . ?
C1 C6 1.406(4) . ?
C2 C3 1.401(4) . ?
C2 C7 1.506(4) . ?
C3 C4 1.366(5) . ?
C3 H3A 0.9300 . ?
C4 C5 1.364(5) . ?
C4 H4A 0.9300 . ?
C5 C6 1.390(4) . ?
C5 H5A 0.9300 . ?
C6 C10 1.511(4) . ?
C7 C8 1.532(4) . ?
C7 C9 1.539(4) . ?
C7 H7A 0.9800 . ?
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 C12 1.532(5) . ?
C10 C11 1.535(5) . ?
C10 H10A 0.9800 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C15 1.498(4) . ?
C13 C14 1.519(5) . ?
C13 C16 1.526(4) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C17 1.535(4) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C19 1.499(4) . ?
C17 C18 1.515(3) . ?
C17 C23 1.524(4) . ?
C19 C20 1.528(5) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C21 1.464(8) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.494(8) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C23 1.541(5) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
