#------------------------------------------------------------------------------
#$Date: 2021-06-05 22:29:58 +0300 (Sat, 05 Jun 2021) $
#$Revision: 266177 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/80/7158056.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_7158056
loop_
_publ_author_name
'Bentley, Jordan N.'
'Simoes, Selvyn A.'
'Pradhan, Ekadashi'
'Zeng, Tao'
'Caputo, Christopher B.'
_publ_section_title
;
 The synthesis, properties, and reactivity of Lewis acidic aminoboranes.
;
_journal_issue                   21
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              4796
_journal_page_last               4802
_journal_paper_doi               10.1039/d1ob00520k
_journal_volume                  19
_journal_year                    2021
_chemical_formula_moiety         'C24 H8 B F10 N O'
_chemical_formula_sum            'C24 H8 B F10 N O'
_chemical_formula_weight         527.12
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2021-02-15
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6257)
;
_audit_update_record
;
2021-03-04 deposited with the CCDC.	2021-05-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.621(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.4685(5)
_cell_length_b                   12.8091(7)
_cell_length_c                   17.3040(10)
_cell_measurement_reflns_used    9919
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.54
_cell_measurement_theta_min      2.36
_cell_volume                     2096.5(2)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      173.0
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0302
_diffrn_reflns_av_unetI/netI     0.0221
_diffrn_reflns_Laue_measured_fraction_full 0.998
_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       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            25799
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.561
_diffrn_reflns_theta_min         2.407
_diffrn_source_current           20.0
_diffrn_source_power             1.0
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.163
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6270
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1517 before and 0.0535 after correction.
The Ratio of minimum to maximum transmission is 0.8409.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.670
_exptl_crystal_description       block
_exptl_crystal_F_000             1048
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.306
_refine_diff_density_min         -0.205
_refine_diff_density_rms         0.048
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         4833
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0392
_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)+(0.0465P)²+1.2513P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1006
_refine_ls_wR_factor_ref         0.1080
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4036
_reflns_number_total             4833
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ob00520k2.cif
_cod_data_source_block           jnb018cc_1_0m_a
_cod_depositor_comments
'Adding full bibliography for 7158056--7158060.cif.'
_cod_database_code               7158056
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C7(H7), C8(H8), C9(H9), C17(H17), C18(H18), C19(H19), C20(H20), C23(H23)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
F1 F 0.30176(13) 0.27617(10) 0.56002(6) 0.0463(3) Uani 1 1 d . . . . .
F2 F 1.10457(12) 0.59573(11) 0.37627(9) 0.0606(4) Uani 1 1 d . . . . .
F3 F 0.81238(11) 0.30323(8) 0.34094(7) 0.0413(3) Uani 1 1 d . . . . .
F4 F 0.89132(11) 0.72085(8) 0.32094(7) 0.0400(3) Uani 1 1 d . . . . .
F5 F 0.64149(10) 0.63834(7) 0.27477(6) 0.0325(2) Uani 1 1 d . . . . .
F6 F 0.28515(12) 0.47964(9) 0.51451(6) 0.0426(3) Uani 1 1 d . . . . .
F7 F 0.41389(11) 0.54160(8) 0.38609(6) 0.0350(2) Uani 1 1 d . . . . .
F8 F 0.44385(13) 0.13635(8) 0.47628(6) 0.0426(3) Uani 1 1 d . . . . .
F9 F 0.55991(11) 0.19511(8) 0.34374(6) 0.0356(2) Uani 1 1 d . . . . .
F10 F 1.06379(12) 0.38638(11) 0.38604(9) 0.0583(4) Uani 1 1 d . . . . .
O1 O 0.30578(12) 0.56834(9) 0.14595(7) 0.0332(3) Uani 1 1 d . . . . .
N1 N 0.48996(13) 0.43062(10) 0.21732(7) 0.0219(3) Uani 1 1 d . . . . .
C1 C 0.36414(18) 0.30743(14) 0.49592(9) 0.0310(4) Uani 1 1 d . . . . .
C2 C 0.43575(18) 0.23606(13) 0.45305(10) 0.0296(3) Uani 1 1 d . . . . .
C3 C 0.49702(17) 0.26853(13) 0.38602(9) 0.0267(3) Uani 1 1 d . . . . .
C4 C 0.49217(15) 0.37116(12) 0.36067(9) 0.0228(3) Uani 1 1 d . . . . .
B5 B 0.56591(17) 0.41880(13) 0.28776(10) 0.0211(3) Uani 1 1 d . . . . .
C6 C 0.34408(16) 0.39991(12) 0.20481(9) 0.0239(3) Uani 1 1 d . . . . .
C7 C 0.29286(17) 0.30250(13) 0.22418(10) 0.0277(3) Uani 1 1 d . . . . .
H7 H 0.355293 0.251047 0.245717 0.033 Uiso 1 1 calc R U . . .
C8 C 0.15014(18) 0.28027(14) 0.21204(11) 0.0347(4) Uani 1 1 d . . . . .
H8 H 0.114561 0.213834 0.225879 0.042 Uiso 1 1 calc R U . . .
C9 C 0.05967(18) 0.35480(16) 0.17980(12) 0.0393(4) Uani 1 1 d . . . . .
H9 H -0.038257 0.339663 0.172554 0.047 Uiso 1 1 calc R U . . .
C10 C 0.98035(18) 0.55390(16) 0.35246(11) 0.0363(4) Uani 1 1 d . . . . .
C11 C 0.95941(18) 0.44809(15) 0.35773(11) 0.0358(4) Uani 1 1 d . . . . .
C12 C 0.82979(17) 0.40673(13) 0.33409(10) 0.0276(3) Uani 1 1 d . . . . .
C13 C 0.71861(15) 0.46686(12) 0.30413(8) 0.0221(3) Uani 1 1 d . . . . .
C14 C 0.74488(16) 0.57317(12) 0.29991(9) 0.0236(3) Uani 1 1 d . . . . .
C15 C 0.87274(17) 0.61736(13) 0.32379(10) 0.0291(3) Uani 1 1 d . . . . .
C16 C 0.53747(16) 0.48987(12) 0.15269(9) 0.0242(3) Uani 1 1 d . . . . .
C17 C 0.66990(17) 0.47828(14) 0.12285(9) 0.0295(3) Uani 1 1 d . . . . .
H17 H 0.733483 0.426754 0.143183 0.035 Uiso 1 1 calc R U . . .
C18 C 0.7088(2) 0.54302(15) 0.06268(10) 0.0368(4) Uani 1 1 d . . . . .
H18 H 0.799761 0.535985 0.042232 0.044 Uiso 1 1 calc R U . . .
C19 C 0.6160(2) 0.61737(15) 0.03258(10) 0.0404(4) Uani 1 1 d . . . . .
H19 H 0.644587 0.662524 -0.007358 0.049 Uiso 1 1 calc R U . . .
C20 C 0.4814(2) 0.62656(14) 0.06023(10) 0.0370(4) Uani 1 1 d . . . . .
H20 H 0.416794 0.676510 0.038652 0.044 Uiso 1 1 calc R U . . .
C21 C 0.44257(17) 0.56181(13) 0.11983(9) 0.0279(3) Uani 1 1 d . . . . .
C22 C 0.25310(17) 0.47327(13) 0.16992(10) 0.0282(3) Uani 1 1 d . . . . .
C23 C 0.11048(18) 0.45135(15) 0.15796(11) 0.0369(4) Uani 1 1 d . . . . .
H23 H 0.048257 0.501915 0.135047 0.044 Uiso 1 1 calc R U . . .
C24 C 0.35564(17) 0.41017(14) 0.47286(9) 0.0294(3) Uani 1 1 d . . . . .
C25 C 0.42035(16) 0.44009(12) 0.40664(9) 0.0251(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'
B B 0.0013 0.0007 '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'
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'
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
C22 O1 C21 113.37(12) . . ?
B5 N1 C6 123.59(13) . . ?
B5 N1 C16 124.67(13) . . ?
C16 N1 C6 110.97(12) . . ?
F1 C1 C2 119.61(16) . . ?
F1 C1 C24 120.19(16) . . ?
C2 C1 C24 120.19(15) . . ?
F8 C2 C1 119.64(15) . . ?
F8 C2 C3 121.14(15) . . ?
C1 C2 C3 119.21(15) . . ?
F9 C3 C2 117.26(14) . . ?
F9 C3 C4 119.96(14) . . ?
C2 C3 C4 122.75(15) . . ?
C3 C4 B5 127.25(14) . . ?
C3 C4 C25 115.61(14) . . ?
C25 C4 B5 117.06(13) . . ?
N1 B5 C4 120.47(13) . . ?
N1 B5 C13 122.92(14) . . ?
C13 B5 C4 115.92(12) . . ?
C7 C6 N1 123.54(14) . . ?
C7 C6 C22 119.72(14) . . ?
C22 C6 N1 116.73(14) . . ?
C6 C7 H7 120.1 . . ?
C6 C7 C8 119.83(15) . . ?
C8 C7 H7 120.1 . . ?
C7 C8 H8 120.0 . . ?
C9 C8 C7 120.03(17) . . ?
C9 C8 H8 120.0 . . ?
C8 C9 H9 119.7 . . ?
C8 C9 C23 120.64(16) . . ?
C23 C9 H9 119.7 . . ?
F2 C10 C11 120.10(16) . . ?
F2 C10 C15 119.93(17) . . ?
C11 C10 C15 119.96(15) . . ?
F10 C11 C10 119.99(16) . . ?
F10 C11 C12 120.81(17) . . ?
C10 C11 C12 119.19(15) . . ?
F3 C12 C11 117.63(14) . . ?
F3 C12 C13 119.20(14) . . ?
C11 C12 C13 123.17(15) . . ?
C12 C13 B5 121.48(14) . . ?
C12 C13 C14 115.49(14) . . ?
C14 C13 B5 122.44(13) . . ?
F5 C14 C13 119.81(13) . . ?
F5 C14 C15 117.23(14) . . ?
C15 C14 C13 122.90(14) . . ?
F4 C15 C10 120.08(15) . . ?
F4 C15 C14 120.61(15) . . ?
C10 C15 C14 119.28(15) . . ?
C17 C16 N1 123.56(14) . . ?
C17 C16 C21 119.84(15) . . ?
C21 C16 N1 116.60(14) . . ?
C16 C17 H17 120.4 . . ?
C16 C17 C18 119.29(17) . . ?
C18 C17 H17 120.4 . . ?
C17 C18 H18 119.8 . . ?
C19 C18 C17 120.42(17) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 H19 119.8 . . ?
C18 C19 C20 120.48(17) . . ?
C20 C19 H19 119.8 . . ?
C19 C20 H20 120.5 . . ?
C21 C20 C19 119.04(17) . . ?
C21 C20 H20 120.5 . . ?
C16 C21 O1 120.00(14) . . ?
C20 C21 O1 119.18(15) . . ?
C20 C21 C16 120.81(16) . . ?
O1 C22 C6 119.87(14) . . ?
C23 C22 O1 119.65(15) . . ?
C23 C22 C6 120.47(16) . . ?
C9 C23 H23 120.4 . . ?
C22 C23 C9 119.23(16) . . ?
C22 C23 H23 120.4 . . ?
F6 C24 C1 120.15(15) . . ?
F6 C24 C25 120.87(16) . . ?
C1 C24 C25 118.98(15) . . ?
F7 C25 C4 118.69(14) . . ?
F7 C25 C24 118.08(14) . . ?
C24 C25 C4 123.23(15) . . ?
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
F1 C1 1.3415(19) . ?
F2 C10 1.3401(19) . ?
F3 C12 1.3418(19) . ?
F4 C15 1.3385(19) . ?
F5 C14 1.3436(17) . ?
F6 C24 1.3419(19) . ?
F7 C25 1.3486(18) . ?
F8 C2 1.3401(19) . ?
F9 C3 1.3469(19) . ?
F10 C11 1.3406(19) . ?
O1 C21 1.394(2) . ?
O1 C22 1.387(2) . ?
N1 B5 1.395(2) . ?
N1 C6 1.4429(18) . ?
N1 C16 1.441(2) . ?
C1 C2 1.375(2) . ?
C1 C24 1.377(3) . ?
C2 C3 1.384(2) . ?
C3 C4 1.386(2) . ?
C4 B5 1.591(2) . ?
C4 C25 1.387(2) . ?
B5 C13 1.585(2) . ?
C6 C7 1.385(2) . ?
C6 C22 1.394(2) . ?
C7 H7 0.9500 . ?
C7 C8 1.388(2) . ?
C8 H8 0.9500 . ?
C8 C9 1.383(3) . ?
C9 H9 0.9500 . ?
C9 C23 1.386(3) . ?
C10 C11 1.373(3) . ?
C10 C15 1.378(2) . ?
C11 C12 1.381(2) . ?
C12 C13 1.386(2) . ?
C13 C14 1.387(2) . ?
C14 C15 1.382(2) . ?
C16 C17 1.386(2) . ?
C16 C21 1.390(2) . ?
C17 H17 0.9500 . ?
C17 C18 1.394(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.382(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.386(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.386(2) . ?
C22 C23 1.385(2) . ?
C23 H23 0.9500 . ?
C24 C25 1.378(2) . ?
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
F1 C1 C2 F8 -0.8(2) . . . . ?
F1 C1 C2 C3 178.52(15) . . . . ?
F1 C1 C24 F6 0.1(2) . . . . ?
F1 C1 C24 C25 -179.80(14) . . . . ?
F2 C10 C11 F10 -0.6(3) . . . . ?
F2 C10 C11 C12 178.92(18) . . . . ?
F2 C10 C15 F4 -1.2(3) . . . . ?
F2 C10 C15 C14 -179.59(16) . . . . ?
F3 C12 C13 B5 7.9(2) . . . . ?
F3 C12 C13 C14 179.24(14) . . . . ?
F5 C14 C15 F4 -0.6(2) . . . . ?
F5 C14 C15 C10 177.84(15) . . . . ?
F6 C24 C25 F7 1.7(2) . . . . ?
F6 C24 C25 C4 -178.72(14) . . . . ?
F8 C2 C3 F9 2.6(2) . . . . ?
F8 C2 C3 C4 -179.26(15) . . . . ?
F9 C3 C4 B5 -5.8(2) . . . . ?
F9 C3 C4 C25 177.57(13) . . . . ?
F10 C11 C12 F3 0.4(3) . . . . ?
F10 C11 C12 C13 -179.71(16) . . . . ?
O1 C22 C23 C9 177.88(17) . . . . ?
N1 B5 C13 C12 -129.57(16) . . . . ?
N1 B5 C13 C14 59.7(2) . . . . ?
N1 C6 C7 C8 178.30(15) . . . . ?
N1 C6 C22 O1 2.9(2) . . . . ?
N1 C6 C22 C23 -178.01(15) . . . . ?
N1 C16 C17 C18 -176.72(14) . . . . ?
N1 C16 C21 O1 -4.6(2) . . . . ?
N1 C16 C21 C20 176.36(14) . . . . ?
C1 C2 C3 F9 -176.71(15) . . . . ?
C1 C2 C3 C4 1.5(3) . . . . ?
C1 C24 C25 F7 -178.34(14) . . . . ?
C1 C24 C25 C4 1.2(2) . . . . ?
C2 C1 C24 F6 179.67(15) . . . . ?
C2 C1 C24 C25 -0.3(2) . . . . ?
C2 C3 C4 B5 176.11(15) . . . . ?
C2 C3 C4 C25 -0.6(2) . . . . ?
C3 C4 B5 N1 96.78(19) . . . . ?
C3 C4 B5 C13 -92.45(18) . . . . ?
C3 C4 C25 F7 178.76(13) . . . . ?
C3 C4 C25 C24 -0.8(2) . . . . ?
C4 B5 C13 C12 59.91(19) . . . . ?
C4 B5 C13 C14 -110.84(16) . . . . ?
B5 N1 C6 C7 -50.4(2) . . . . ?
B5 N1 C6 C22 130.87(16) . . . . ?
B5 N1 C16 C17 50.1(2) . . . . ?
B5 N1 C16 C21 -129.97(15) . . . . ?
B5 C4 C25 F7 1.8(2) . . . . ?
B5 C4 C25 C24 -177.82(14) . . . . ?
B5 C13 C14 F5 -5.9(2) . . . . ?
B5 C13 C14 C15 171.23(14) . . . . ?
C6 N1 B5 C4 -1.2(2) . . . . ?
C6 N1 B5 C13 -171.26(14) . . . . ?
C6 N1 C16 C17 -139.69(15) . . . . ?
C6 N1 C16 C21 40.25(18) . . . . ?
C6 C7 C8 C9 0.8(3) . . . . ?
C6 C22 C23 C9 -1.2(3) . . . . ?
C7 C6 C22 O1 -175.86(15) . . . . ?
C7 C6 C22 C23 3.2(2) . . . . ?
C7 C8 C9 C23 1.2(3) . . . . ?
C8 C9 C23 C22 -1.0(3) . . . . ?
C10 C11 C12 F3 -179.18(17) . . . . ?
C10 C11 C12 C13 0.7(3) . . . . ?
C11 C10 C15 F4 177.82(17) . . . . ?
C11 C10 C15 C14 -0.6(3) . . . . ?
C11 C12 C13 B5 -172.03(16) . . . . ?
C11 C12 C13 C14 -0.7(2) . . . . ?
C12 C13 C14 F5 -177.14(14) . . . . ?
C12 C13 C14 C15 0.0(2) . . . . ?
C13 C14 C15 F4 -177.75(14) . . . . ?
C13 C14 C15 C10 0.7(2) . . . . ?
C15 C10 C11 F10 -179.62(18) . . . . ?
C15 C10 C11 C12 -0.1(3) . . . . ?
C16 N1 B5 C4 167.87(14) . . . . ?
C16 N1 B5 C13 -2.2(2) . . . . ?
C16 N1 C6 C7 139.27(15) . . . . ?
C16 N1 C6 C22 -39.48(18) . . . . ?
C16 C17 C18 C19 -0.6(2) . . . . ?
C17 C16 C21 O1 175.31(14) . . . . ?
C17 C16 C21 C20 -3.7(2) . . . . ?
C17 C18 C19 C20 -1.9(3) . . . . ?
C18 C19 C20 C21 1.6(3) . . . . ?
C19 C20 C21 O1 -177.79(15) . . . . ?
C19 C20 C21 C16 1.2(2) . . . . ?
C21 O1 C22 C6 33.6(2) . . . . ?
C21 O1 C22 C23 -145.44(16) . . . . ?
C21 C16 C17 C18 3.3(2) . . . . ?
C22 O1 C21 C16 -32.8(2) . . . . ?
C22 O1 C21 C20 146.20(15) . . . . ?
C22 C6 C7 C8 -3.0(2) . . . . ?
C24 C1 C2 F8 179.70(15) . . . . ?
C24 C1 C2 C3 -1.0(3) . . . . ?
C25 C4 B5 N1 -86.61(18) . . . . ?
C25 C4 B5 C13 84.17(17) . . . . ?
