#------------------------------------------------------------------------------
#$Date: 2022-10-07 03:56:46 +0300 (Fri, 07 Oct 2022) $
#$Revision: 278428 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/53/7245349.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_7245349
loop_
_publ_author_name
'Miao, Yu-Qi'
'Li, Xin-Ying'
'Pan, Qiao-Jing'
'Ma, Yubin'
'Kang, Jia-Xin'
'Ma, Yan-Na'
'Liu, Zhenxing'
'Chen, Xuenian'
_publ_section_title
;
 A general photo-induced wide-scope regioselective hydroboration of
 alkenes without using a photocatalyst or an external initiator
;
_journal_issue                   18
_journal_name_full               'Green Chemistry'
_journal_page_first              7113
_journal_page_last               7121
_journal_paper_doi               10.1039/D2GC02313J
_journal_volume                  24
_journal_year                    2022
_chemical_formula_moiety         'C16 H21 B N2 O2'
_chemical_formula_sum            'C16 H21 B N2 O2'
_chemical_formula_weight         284.16
_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   mixed
_atom_sites_solution_primary     iterative
_audit_creation_date             2021-11-01
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2022-02-13 deposited with the CCDC.	2022-08-15 downloaded from the CCDC.
;
_cell_angle_alpha                114.228(8)
_cell_angle_beta                 106.840(6)
_cell_angle_gamma                93.503(6)
_cell_formula_units_Z            2
_cell_length_a                   9.0836(6)
_cell_length_b                   9.1558(8)
_cell_length_c                   11.0863(8)
_cell_measurement_reflns_used    2568
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      71.3540
_cell_measurement_theta_min      5.1990
_cell_volume                     787.46(13)
_computing_cell_refinement       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.3 (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0521
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -15.00  25.00   1.00    1.00    --  -35.75  57.00 168.00   40
  2  ω    -99.00 -55.00   1.00    1.00    --  -35.75 -57.00  26.00   44
  3  ω     21.00  83.00   1.00    1.00    --   35.75  57.00 168.00   62
  4  ω      9.00  35.00   1.00    1.00    --   35.75 -57.00  26.00   26
  5  ω    123.00 173.00   1.00    2.19    --  107.12  57.00 168.00   50
  6  ω     57.00  84.00   1.00    2.19    --  107.12 -57.00  26.00   27
  7  ω   -108.00 -37.00   1.00    1.00    --  -35.75-178.00 -30.00   71
  8  ω     37.00  70.00   1.00    1.00    --   35.75 -99.00-180.00   33
  9  ω     22.00  75.00   1.00    1.00    --   35.75 -99.00 -30.00   53
 10  ω      6.00 107.00   1.00    1.00    --   35.75  19.00  30.00  101
 11  ω     20.00 103.00   1.00    1.00    --   35.75  57.00 -90.00   83
 12  ω     58.00 107.00   1.00    1.00    --   35.75 178.00 -30.00   49
 13  ω    104.00 148.00   1.00    2.19    --  107.12  61.00 150.00   44
 14  ω     39.00 125.00   1.00    2.19    --  107.12 -45.00  60.00   86
 15  ω     58.00 149.00   1.00    2.19    --  107.12 178.00 -60.00   91
 16  ω     62.00  88.00   1.00    2.19    --  107.12 -95.00  60.00   26
 17  ω     51.00 110.00   1.00    2.19    --  107.12-111.00 -30.00   59
 18  ω     52.00 109.00   1.00    2.19    --  107.12 -95.00   0.00   57
 19  ω     55.00  89.00   1.00    2.19    --  107.12 -95.00-120.00   34
 20  ω     40.00 124.00   1.00    2.19    --  107.12 -45.00 -60.00   84
 21  ω     92.00 149.00   1.00    2.19    --  107.12  45.00 -60.00   57
 22  ω     61.00 113.00   1.00    2.19    --  107.12-111.00 150.00   52
 23  ω     81.00 122.00   1.00    2.19    --  107.12  77.00-150.00   41
 24  ω     90.00 161.00   1.00    2.19    --  107.12  30.00  90.00   71
 25  ω    113.00 151.00   1.00    2.19    --  107.12 111.00  90.00   38
 26  ω    106.00 160.00   1.00    2.19    --  107.12 111.00  30.00   54
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0750863000
_diffrn_orient_matrix_UB_12      -0.1441454000
_diffrn_orient_matrix_UB_13      0.0151414000
_diffrn_orient_matrix_UB_21      0.0619577000
_diffrn_orient_matrix_UB_22      -0.1192512000
_diffrn_orient_matrix_UB_23      -0.1098749000
_diffrn_orient_matrix_UB_31      0.1526954000
_diffrn_orient_matrix_UB_32      0.0236170000
_diffrn_orient_matrix_UB_33      0.1186285000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0219
_diffrn_reflns_av_unetI/netI     0.0332
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.970
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5210
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.970
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.566
_diffrn_reflns_theta_min         4.662
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    0.622
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.93050
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.198
_exptl_crystal_description       block
_exptl_crystal_F_000             304
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.188
_refine_diff_density_min         -0.192
_refine_diff_density_rms         0.045
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     202
_refine_ls_number_reflns         2990
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0670
_refine_ls_R_factor_gt           0.0514
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0668P)²+0.2016P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1436
_refine_ls_wR_factor_ref         0.1538
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2347
_reflns_number_total             2990
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2gc02313j2.cif
_cod_data_source_block           20210628-myq
_cod_depositor_comments
'Adding full bibliography for 7245347--7245349.cif.'
_cod_original_cell_volume        787.46(12)
_cod_database_code               7245349
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C1 B1 O1'
_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_max   0.988
_shelx_estimated_absorpt_t_min   0.970
_reflns_odcompleteness_completeness 99.89
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C8(H8)
2.b Secondary CH2 refined with riding coordinates:
 C7(H7a,H7b)
2.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C2(H2), C15(H15), C14(H14)
2.d Idealised Me refined as rotating group:
 C21(H21a,H21b,H21c), C20(H20a,H20b,H20c), C18(H18a,H18b,H18c), C17(H17a,H17b,
 H17c)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.203
_oxdiff_exptl_absorpt_empirical_full_min 0.673
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
O10 O 0.30814(15) 0.59113(16) 0.78691(15) 0.0511(4) Uani 1 1 d . . . . .
O19 O 0.13415(17) 0.3764(2) 0.72775(18) 0.0667(5) Uani 1 1 d . . . . .
N16 N 0.1319(2) 0.2874(3) 0.3927(2) 0.0663(5) Uani 1 1 d . . . . .
N13 N 0.1352(2) 0.0531(3) 0.3927(2) 0.0667(6) Uani 1 1 d . . . . .
C6 C 0.5885(2) 0.5954(2) 0.85700(18) 0.0397(4) Uani 1 1 d . . . . .
C1 C 0.4634(2) 0.6668(2) 0.82296(19) 0.0420(4) Uani 1 1 d . . . . .
C5 C 0.7395(2) 0.6866(2) 0.90283(19) 0.0442(4) Uani 1 1 d . . . . .
C9 C 0.2701(2) 0.4271(2) 0.7500(2) 0.0478(4) Uani 1 1 d . . . . .
C8 C 0.3918(2) 0.3307(2) 0.7302(2) 0.0477(5) Uani 1 1 d . . . . .
H8 H 0.363775 0.231188 0.738805 0.057 Uiso 1 1 calc R U . . .
C3 C 0.6314(3) 0.9080(2) 0.8673(2) 0.0498(5) Uani 1 1 d . . . . .
C4 C 0.7578(2) 0.8406(2) 0.9071(2) 0.0506(5) Uani 1 1 d . . . . .
H4 H 0.858952 0.900572 0.937831 0.061 Uiso 1 1 calc R U . . .
C7 C 0.5559(2) 0.4229(2) 0.8382(2) 0.0482(5) Uani 1 1 d . . . . .
H7A H 0.563215 0.425038 0.927994 0.058 Uiso 1 1 calc R U . . .
H7B H 0.634310 0.366068 0.806774 0.058 Uiso 1 1 calc R U . . .
C2 C 0.4822(2) 0.8190(2) 0.8260(2) 0.0498(5) Uani 1 1 d . . . . .
H2 H 0.394634 0.861691 0.800262 0.060 Uiso 1 1 calc R U . . .
C12 C 0.2218(2) 0.2057(3) 0.4515(2) 0.0550(5) Uani 1 1 d . . . . .
C21 C 0.8815(2) 0.6189(3) 0.9470(3) 0.0624(6) Uani 1 1 d . . . . .
H21A H 0.878893 0.594666 1.022879 0.094 Uiso 1 1 calc R U . . .
H21B H 0.975224 0.698218 0.977707 0.094 Uiso 1 1 calc R U . . .
H21C H 0.881010 0.520545 0.868497 0.094 Uiso 1 1 calc R U . . .
C15 C -0.0101(3) 0.1851(5) 0.2974(3) 0.0881(10) Uani 1 1 d . . . . .
H15 H -0.092249 0.212531 0.243513 0.106 Uiso 1 1 calc R U . . .
C20 C 0.6538(3) 1.0720(3) 0.8666(3) 0.0759(7) Uani 1 1 d . . . . .
H20A H 0.764087 1.117775 0.900532 0.114 Uiso 1 1 calc R U . . .
H20B H 0.605031 1.144253 0.926645 0.114 Uiso 1 1 calc R U . . .
H20C H 0.606535 1.058624 0.772268 0.114 Uiso 1 1 calc R U . . .
C14 C -0.0074(3) 0.0401(5) 0.2972(3) 0.0912(10) Uani 1 1 d . . . . .
H14 H -0.087155 -0.053061 0.242584 0.109 Uiso 1 1 calc R U . . .
B11 B 0.3949(3) 0.2761(3) 0.5673(3) 0.0528(6) Uani 1 1 d . . . . .
C18 C 0.1770(4) 0.4574(4) 0.4228(3) 0.0850(8) Uani 1 1 d . . . . .
H18A H 0.199817 0.526648 0.521245 0.127 Uiso 1 1 calc R U . . .
H18B H 0.092297 0.486915 0.368103 0.127 Uiso 1 1 calc R U . . .
H18C H 0.268645 0.470839 0.398752 0.127 Uiso 1 1 calc R U . . .
C17 C 0.1844(3) -0.0787(3) 0.4251(3) 0.0870(9) Uani 1 1 d . . . . .
H17A H 0.291765 -0.079693 0.430721 0.130 Uiso 1 1 calc R U . . .
H17B H 0.118767 -0.181391 0.352155 0.130 Uiso 1 1 calc R U . . .
H17C H 0.175119 -0.061936 0.513667 0.130 Uiso 1 1 calc R U . . .
H11A H 0.451(3) 0.383(3) 0.560(2) 0.060(6) Uiso 1 1 d . . . . .
H11B H 0.469(3) 0.181(3) 0.546(3) 0.068(7) Uiso 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 0.0181 0.0091 '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 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
C9 O10 C1 120.54(14) . . ?
C12 N16 C15 109.9(3) . . ?
C12 N16 C18 125.6(2) . . ?
C15 N16 C18 124.5(3) . . ?
C12 N13 C14 110.0(3) . . ?
C12 N13 C17 125.2(2) . . ?
C14 N13 C17 124.8(3) . . ?
C1 C6 C5 117.57(16) . . ?
C1 C6 C7 118.94(17) . . ?
C5 C6 C7 123.45(16) . . ?
C6 C1 O10 121.97(16) . . ?
C2 C1 O10 115.22(16) . . ?
C2 C1 C6 122.78(17) . . ?
C6 C5 C21 120.44(17) . . ?
C4 C5 C6 119.34(17) . . ?
C4 C5 C21 120.21(18) . . ?
O10 C9 C8 117.87(16) . . ?
O19 C9 O10 114.91(19) . . ?
O19 C9 C8 127.00(19) . . ?
C9 C8 H8 108.5 . . ?
C9 C8 C7 113.11(17) . . ?
C9 C8 B11 108.62(16) . . ?
C7 C8 H8 108.5 . . ?
C7 C8 B11 109.51(17) . . ?
B11 C8 H8 108.5 . . ?
C4 C3 C20 121.6(2) . . ?
C2 C3 C4 117.84(18) . . ?
C2 C3 C20 120.5(2) . . ?
C5 C4 H4 118.8 . . ?
C3 C4 C5 122.48(19) . . ?
C3 C4 H4 118.8 . . ?
C6 C7 C8 110.97(15) . . ?
C6 C7 H7A 109.4 . . ?
C6 C7 H7B 109.4 . . ?
C8 C7 H7A 109.4 . . ?
C8 C7 H7B 109.4 . . ?
H7A C7 H7B 108.0 . . ?
C1 C2 C3 119.90(18) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 H2 120.1 . . ?
N16 C12 B11 127.0(2) . . ?
N13 C12 N16 105.6(2) . . ?
N13 C12 B11 127.4(2) . . ?
C5 C21 H21A 109.5 . . ?
C5 C21 H21B 109.5 . . ?
C5 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N16 C15 H15 126.4 . . ?
C14 C15 N16 107.2(3) . . ?
C14 C15 H15 126.4 . . ?
C3 C20 H20A 109.5 . . ?
C3 C20 H20B 109.5 . . ?
C3 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N13 C14 H14 126.3 . . ?
C15 C14 N13 107.4(3) . . ?
C15 C14 H14 126.3 . . ?
C8 B11 H11A 110.9(12) . . ?
C8 B11 H11B 107.4(12) . . ?
C12 B11 C8 111.82(17) . . ?
C12 B11 H11A 108.5(11) . . ?
C12 B11 H11B 110.5(13) . . ?
H11A B11 H11B 107.7(16) . . ?
N16 C18 H18A 109.5 . . ?
N16 C18 H18B 109.5 . . ?
N16 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N13 C17 H17A 109.5 . . ?
N13 C17 H17B 109.5 . . ?
N13 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 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
O10 C1 1.398(2) . ?
O10 C9 1.375(2) . ?
O19 C9 1.209(2) . ?
N16 C12 1.348(3) . ?
N16 C15 1.381(3) . ?
N16 C18 1.456(3) . ?
N13 C12 1.348(3) . ?
N13 C14 1.377(4) . ?
N13 C17 1.453(4) . ?
C6 C1 1.381(2) . ?
C6 C5 1.394(3) . ?
C6 C7 1.504(2) . ?
C1 C2 1.379(2) . ?
C5 C4 1.390(3) . ?
C5 C21 1.507(3) . ?
C9 C8 1.466(3) . ?
C8 H8 0.9800 . ?
C8 C7 1.533(3) . ?
C8 B11 1.675(3) . ?
C3 C4 1.382(3) . ?
C3 C2 1.382(3) . ?
C3 C20 1.506(3) . ?
C4 H4 0.9300 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C2 H2 0.9300 . ?
C12 B11 1.601(3) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C15 H15 0.9300 . ?
C15 C14 1.328(5) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C14 H14 0.9300 . ?
B11 H11A 1.12(2) . ?
B11 H11B 1.12(2) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
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
O10 C1 C2 C3 176.73(17) . . . . ?
O10 C9 C8 C7 39.1(2) . . . . ?
O10 C9 C8 B11 -82.7(2) . . . . ?
O19 C9 C8 C7 -146.5(2) . . . . ?
O19 C9 C8 B11 91.7(2) . . . . ?
N16 C12 B11 C8 98.5(2) . . . . ?
N16 C15 C14 N13 0.4(3) . . . . ?
N13 C12 B11 C8 -81.2(3) . . . . ?
C6 C1 C2 C3 -1.4(3) . . . . ?
C6 C5 C4 C3 0.0(3) . . . . ?
C1 O10 C9 O19 176.44(17) . . . . ?
C1 O10 C9 C8 -8.5(3) . . . . ?
C1 C6 C5 C4 -2.5(3) . . . . ?
C1 C6 C5 C21 177.68(18) . . . . ?
C1 C6 C7 C8 22.9(2) . . . . ?
C5 C6 C1 O10 -174.75(16) . . . . ?
C5 C6 C1 C2 3.3(3) . . . . ?
C5 C6 C7 C8 -154.85(18) . . . . ?
C9 O10 C1 C6 -16.3(3) . . . . ?
C9 O10 C1 C2 165.56(17) . . . . ?
C9 C8 C7 C6 -44.8(2) . . . . ?
C9 C8 B11 C12 -46.6(2) . . . . ?
C4 C3 C2 C1 -1.2(3) . . . . ?
C7 C6 C1 O10 7.4(3) . . . . ?
C7 C6 C1 C2 -174.60(18) . . . . ?
C7 C6 C5 C4 175.27(18) . . . . ?
C7 C6 C5 C21 -4.6(3) . . . . ?
C7 C8 B11 C12 -170.62(17) . . . . ?
C2 C3 C4 C5 1.9(3) . . . . ?
C12 N16 C15 C14 -0.2(3) . . . . ?
C12 N13 C14 C15 -0.5(3) . . . . ?
C21 C5 C4 C3 179.8(2) . . . . ?
C15 N16 C12 N13 -0.1(2) . . . . ?
C15 N16 C12 B11 -179.9(2) . . . . ?
C20 C3 C4 C5 -177.3(2) . . . . ?
C20 C3 C2 C1 178.0(2) . . . . ?
C14 N13 C12 N16 0.4(2) . . . . ?
C14 N13 C12 B11 -179.8(2) . . . . ?
B11 C8 C7 C6 76.5(2) . . . . ?
C18 N16 C12 N13 -179.4(2) . . . . ?
C18 N16 C12 B11 0.9(4) . . . . ?
C18 N16 C15 C14 179.0(2) . . . . ?
C17 N13 C12 N16 -179.5(2) . . . . ?
C17 N13 C12 B11 0.2(4) . . . . ?
C17 N13 C14 C15 179.4(2) . . . . ?
