#------------------------------------------------------------------------------
#$Date: 2022-03-09 11:25:00 +0200 (Wed, 09 Mar 2022) $
#$Revision: 273558 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/46/8104697.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_8104697
loop_
_publ_author_name
'Ding, Siyi'
'Miao, Zong-Cheng'
_publ_section_title
;
 The crystal structure of
 2-(3,5-difluorophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine,
 C16H11BF2N2
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              737
_journal_page_last               739
_journal_paper_doi               10.1515/ncrs-2021-0002
_journal_volume                  236
_journal_year                    2021
_chemical_formula_moiety         'C16 H11 B F2 N2'
_chemical_formula_sum            'C16 H11 B F2 N2'
_chemical_formula_weight         280.08
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_cell_angle_alpha                90
_cell_angle_beta                 99.516(5)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.0978(14)
_cell_length_b                   18.580(3)
_cell_length_c                   15.476(2)
_cell_measurement_reflns_used    9950
_cell_measurement_temperature    193.0
_cell_measurement_theta_max      60.49
_cell_measurement_theta_min      3.26
_cell_volume                     2580.0(7)
_computing_cell_refinement       'SAINT V8.38A '
_computing_data_reduction        'SAINT V8.38A '
_computing_molecular_graphics    'Olex2 '
_computing_publication_material  'Olex2 '
_computing_structure_refinement  'XL '
_computing_structure_solution    'SHELXT 2014/5 '
_diffrn_ambient_temperature      193.0
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_reflns_av_R_equivalents  0.0379
_diffrn_reflns_av_unetI/netI     0.0342
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            18536
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         60.522
_diffrn_reflns_theta_min         3.260
_diffrn_source_current           2.86
_diffrn_source_power             0.1993706
_diffrn_source_voltage           69.71
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.563
_exptl_absorpt_correction_T_max  0.7519
_exptl_absorpt_correction_T_min  0.6015
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1409 before and 0.0738 after correction.
The Ratio of minimum to maximum transmission is 0.4478.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.442
_exptl_crystal_description       block
_exptl_crystal_F_000             1152
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.263
_refine_diff_density_min         -0.215
_refine_diff_density_rms         0.044
_refine_ls_abs_structure_details
;
 Flack x determined using 923 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         5775
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0510
_refine_ls_R_factor_gt           0.0406
_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)+(0.0674P)²+0.4589P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1193
_refine_ls_wR_factor_ref         0.1307
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4678
_reflns_number_total             5913
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_j_ncrs-2021-0002_suppl.cif
_cod_data_source_block           ok
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8738 2021-04-28 16:35:53Z antanas 
;
_cod_original_cell_volume        2580.2(7)
_cod_original_sg_symbol_Hall     'P 2yb'
_cod_database_code               8104697
_shelx_estimated_absorpt_t_max   0.946
_shelx_estimated_absorpt_t_min   0.936
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.65030(11) 0.44574(4) 0.91923(6) 0.0491(2) Uani 1 1 d . . . . .
F2 F 0.82361(9) 0.60077(5) 0.71944(5) 0.0407(2) Uani 1 1 d . . . . .
F3 F 0.66160(9) 0.83072(5) 0.76644(6) 0.0460(2) Uani 1 1 d . . . . .
F4 F 0.85937(12) 0.99546(5) 0.58781(7) 0.0550(3) Uani 1 1 d . . . . .
N1 N 0.25288(11) 0.65270(5) 0.87459(7) 0.0270(2) Uani 1 1 d . . . . .
H1 H 0.239360 0.606131 0.880014 0.032 Uiso 1 1 calc R U . . .
N2 N 0.40367(11) 0.75151(6) 0.83989(7) 0.0275(2) Uani 1 1 d . . . . .
H2 H 0.483344 0.767404 0.820519 0.033 Uiso 1 1 calc R U . . .
N3 N 1.24200(11) 0.78243(5) 0.61543(7) 0.0268(2) Uani 1 1 d . . . . .
H3A H 1.256626 0.828842 0.609374 0.032 Uiso 1 1 calc R U . . .
N4 N 1.09297(11) 0.68519(6) 0.65584(7) 0.0274(2) Uani 1 1 d . . . . .
H4 H 1.013959 0.669976 0.676462 0.033 Uiso 1 1 calc R U . . .
C1 C 0.00754(14) 0.67475(7) 0.91065(8) 0.0299(3) Uani 1 1 d . . . . .
H1A H -0.012363 0.624560 0.910543 0.036 Uiso 1 1 calc R U . . .
C2 C -0.09890(14) 0.72407(8) 0.93156(8) 0.0331(3) Uani 1 1 d . . . . .
H2A H -0.190373 0.706617 0.945396 0.040 Uiso 1 1 calc R U . . .
C3 C -0.07305(14) 0.79633(8) 0.93232(8) 0.0324(3) Uani 1 1 d . . . . .
H3 H -0.144563 0.828376 0.949220 0.039 Uiso 1 1 calc R U . . .
C4 C 0.05952(14) 0.82419(7) 0.90812(8) 0.0279(3) Uani 1 1 d . . . . .
C5 C 0.08857(15) 0.89890(7) 0.90410(9) 0.0328(3) Uani 1 1 d . . . . .
H5 H 0.019724 0.932490 0.920828 0.039 Uiso 1 1 calc R U . . .
C6 C 0.21466(16) 0.92305(7) 0.87638(9) 0.0353(3) Uani 1 1 d . . . . .
H6 H 0.231370 0.973365 0.872982 0.042 Uiso 1 1 calc R U . . .
C7 C 0.32028(15) 0.87472(7) 0.85277(9) 0.0320(3) Uani 1 1 d . . . . .
H7 H 0.406444 0.892544 0.832593 0.038 Uiso 1 1 calc R U . . .
C8 C 0.29903(13) 0.80169(7) 0.85884(8) 0.0254(3) Uani 1 1 d . . . . .
C9 C 0.16712(13) 0.77490(6) 0.88591(7) 0.0240(2) Uani 1 1 d . . . . .
C10 C 0.14001(13) 0.69935(7) 0.89042(7) 0.0248(2) Uani 1 1 d . . . . .
C11 C 0.51468(13) 0.62207(7) 0.83877(8) 0.0255(2) Uani 1 1 d . . . . .
C12 C 0.52851(14) 0.55698(7) 0.88557(8) 0.0301(3) Uani 1 1 d . . . . .
H12 H 0.461959 0.545936 0.924959 0.036 Uiso 1 1 calc R U . . .
C13 C 0.63944(15) 0.50933(7) 0.87381(9) 0.0330(3) Uani 1 1 d . . . . .
C14 C 0.73990(14) 0.52170(7) 0.81801(9) 0.0328(3) Uani 1 1 d . . . . .
H14 H 0.814746 0.487777 0.810227 0.039 Uiso 1 1 calc R U . . .
C15 C 0.72478(14) 0.58644(7) 0.77426(8) 0.0295(3) Uani 1 1 d . . . . .
C16 C 0.61640(13) 0.63643(7) 0.78259(8) 0.0273(3) Uani 1 1 d . . . . .
H16 H 0.610843 0.680197 0.750481 0.033 Uiso 1 1 calc R U . . .
C17 C 1.48033(14) 0.75841(7) 0.57088(8) 0.0308(3) Uani 1 1 d . . . . .
H17 H 1.498485 0.808500 0.566233 0.037 Uiso 1 1 calc R U . . .
C18 C 1.58526(14) 0.70797(8) 0.55092(9) 0.0339(3) Uani 1 1 d . . . . .
H18 H 1.674391 0.724643 0.533177 0.041 Uiso 1 1 calc R U . . .
C19 C 1.56189(14) 0.63571(8) 0.55647(8) 0.0326(3) Uani 1 1 d . . . . .
H19 H 1.633062 0.602853 0.540826 0.039 Uiso 1 1 calc R U . . .
C20 C 1.43240(14) 0.60938(7) 0.58536(8) 0.0275(3) Uani 1 1 d . . . . .
C21 C 1.40539(15) 0.53480(7) 0.59541(9) 0.0324(3) Uani 1 1 d . . . . .
H21 H 1.474340 0.500438 0.580464 0.039 Uiso 1 1 calc R U . . .
C22 C 1.28122(16) 0.51209(7) 0.62635(9) 0.0348(3) Uani 1 1 d . . . . .
H22 H 1.265892 0.462026 0.633568 0.042 Uiso 1 1 calc R U . . .
C23 C 1.17562(15) 0.56130(7) 0.64774(9) 0.0321(3) Uani 1 1 d . . . . .
H23 H 1.090083 0.544388 0.669370 0.039 Uiso 1 1 calc R U . . .
C24 C 1.19612(13) 0.63430(7) 0.63733(8) 0.0257(3) Uani 1 1 d . . . . .
C25 C 1.32566(13) 0.65970(6) 0.60648(7) 0.0239(2) Uani 1 1 d . . . . .
C26 C 1.35129(13) 0.73475(7) 0.59717(7) 0.0246(2) Uani 1 1 d . . . . .
C27 C 0.98409(13) 0.81523(7) 0.65740(8) 0.0255(2) Uani 1 1 d . . . . .
C28 C 0.97720(15) 0.88287(7) 0.61715(8) 0.0298(3) Uani 1 1 d . . . . .
H28 H 1.049601 0.896295 0.582397 0.036 Uiso 1 1 calc R U . . .
C29 C 0.86475(16) 0.92983(7) 0.62826(9) 0.0336(3) Uani 1 1 d . . . . .
C30 C 0.75671(15) 0.91447(7) 0.67804(9) 0.0345(3) Uani 1 1 d . . . . .
H30 H 0.680490 0.947813 0.685237 0.041 Uiso 1 1 calc R U . . .
C31 C 0.76640(14) 0.84771(7) 0.71663(9) 0.0316(3) Uani 1 1 d . . . . .
C32 C 0.87544(14) 0.79806(7) 0.70790(8) 0.0288(3) Uani 1 1 d . . . . .
H32 H 0.876620 0.752567 0.736008 0.035 Uiso 1 1 calc R U . . .
B1 B 0.38777(15) 0.67658(8) 0.85030(9) 0.0256(3) Uani 1 1 d . . . . .
B2 B 1.10881(15) 0.75983(8) 0.64320(9) 0.0256(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 0.0148 0.0070 '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 0.0073 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0599 0.0411 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0253 0.0136 '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
C10 N1 H1 118.4 . .
C10 N1 B1 123.24(11) . .
B1 N1 H1 118.4 . .
C8 N2 H2 118.4 . .
C8 N2 B1 123.21(11) . .
B1 N2 H2 118.4 . .
C26 N3 H3A 118.4 . .
C26 N3 B2 123.24(11) . .
B2 N3 H3A 118.4 . .
C24 N4 H4 118.3 . .
C24 N4 B2 123.38(10) . .
B2 N4 H4 118.3 . .
C2 C1 H1A 120.0 . .
C10 C1 H1A 120.0 . .
C10 C1 C2 119.90(12) . .
C1 C2 H2A 119.4 . .
C3 C2 C1 121.23(12) . .
C3 C2 H2A 119.4 . .
C2 C3 H3 119.7 . .
C2 C3 C4 120.68(12) . .
C4 C3 H3 119.7 . .
C3 C4 C9 118.53(12) . .
C5 C4 C3 122.84(12) . .
C5 C4 C9 118.63(12) . .
C4 C5 H5 119.7 . .
C6 C5 C4 120.57(12) . .
C6 C5 H5 119.7 . .
C5 C6 H6 119.4 . .
C5 C6 C7 121.15(13) . .
C7 C6 H6 119.4 . .
C6 C7 H7 119.9 . .
C8 C7 C6 120.13(12) . .
C8 C7 H7 119.9 . .
N2 C8 C9 117.69(11) . .
C7 C8 N2 122.35(11) . .
C7 C8 C9 119.95(11) . .
C4 C9 C8 119.51(11) . .
C4 C9 C10 119.28(11) . .
C8 C9 C10 121.21(11) . .
N1 C10 C9 117.61(11) . .
C1 C10 N1 122.17(11) . .
C1 C10 C9 120.22(11) . .
C12 C11 B1 120.15(11) . .
C16 C11 C12 118.26(11) . .
C16 C11 B1 121.58(11) . .
C11 C12 H12 120.3 . .
C13 C12 C11 119.38(12) . .
C13 C12 H12 120.3 . .
F1 C13 C12 118.62(12) . .
F1 C13 C14 117.83(12) . .
C14 C13 C12 123.55(12) . .
C13 C14 H14 122.2 . .
C15 C14 C13 115.59(12) . .
C15 C14 H14 122.2 . .
F2 C15 C14 117.09(11) . .
F2 C15 C16 118.94(11) . .
C16 C15 C14 123.98(12) . .
C11 C16 H16 120.4 . .
C15 C16 C11 119.23(12) . .
C15 C16 H16 120.4 . .
C18 C17 H17 120.2 . .
C26 C17 H17 120.2 . .
C26 C17 C18 119.64(12) . .
C17 C18 H18 119.2 . .
C19 C18 C17 121.52(12) . .
C19 C18 H18 119.2 . .
C18 C19 H19 119.8 . .
C18 C19 C20 120.46(12) . .
C20 C19 H19 119.8 . .
C19 C20 C21 122.70(12) . .
C19 C20 C25 118.71(12) . .
C21 C20 C25 118.59(11) . .
C20 C21 H21 119.7 . .
C22 C21 C20 120.55(12) . .
C22 C21 H21 119.7 . .
C21 C22 H22 119.3 . .
C21 C22 C23 121.30(12) . .
C23 C22 H22 119.3 . .
C22 C23 H23 120.0 . .
C24 C23 C22 120.03(12) . .
C24 C23 H23 120.0 . .
N4 C24 C25 117.82(11) . .
C23 C24 N4 122.21(11) . .
C23 C24 C25 119.98(11) . .
C20 C25 C26 119.34(11) . .
C24 C25 C20 119.54(11) . .
C24 C25 C26 121.11(11) . .
N3 C26 C25 117.83(11) . .
C17 C26 N3 121.90(11) . .
C17 C26 C25 120.27(11) . .
C28 C27 B2 120.36(11) . .
C32 C27 C28 118.10(11) . .
C32 C27 B2 121.51(11) . .
C27 C28 H28 120.2 . .
C29 C28 C27 119.54(12) . .
C29 C28 H28 120.2 . .
F4 C29 C28 118.61(12) . .
F4 C29 C30 117.80(12) . .
C30 C29 C28 123.58(12) . .
C29 C30 H30 122.2 . .
C31 C30 C29 115.50(12) . .
C31 C30 H30 122.2 . .
F3 C31 C30 117.13(12) . .
F3 C31 C32 118.97(12) . .
C30 C31 C32 123.90(12) . .
C27 C32 H32 120.3 . .
C31 C32 C27 119.37(12) . .
C31 C32 H32 120.3 . .
N1 B1 C11 121.04(11) . .
N2 B1 N1 116.74(11) . .
N2 B1 C11 122.19(11) . .
N3 B2 C27 121.45(11) . .
N4 B2 N3 116.48(11) . .
N4 B2 C27 122.06(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
F1 C13 1.3699(15) .
F2 C15 1.3607(14) .
F3 C31 1.3587(15) .
F4 C29 1.3678(15) .
N1 H1 0.8800 .
N1 C10 1.3960(15) .
N1 B1 1.4131(17) .
N2 H2 0.8800 .
N2 C8 1.3978(15) .
N2 B1 1.4116(17) .
N3 H3A 0.8800 .
N3 C26 1.3949(15) .
N3 B2 1.4148(17) .
N4 H4 0.8800 .
N4 C24 1.3949(15) .
N4 B2 1.4112(17) .
C1 H1A 0.9500 .
C1 C2 1.4091(18) .
C1 C10 1.3726(17) .
C2 H2A 0.9500 .
C2 C3 1.363(2) .
C3 H3 0.9500 .
C3 C4 1.4185(18) .
C4 C5 1.4163(19) .
C4 C9 1.4236(17) .
C5 H5 0.9500 .
C5 C6 1.365(2) .
C6 H6 0.9500 .
C6 C7 1.4069(19) .
C7 H7 0.9500 .
C7 C8 1.3762(17) .
C8 C9 1.4247(16) .
C9 C10 1.4289(17) .
C11 C12 1.4046(17) .
C11 C16 1.3962(16) .
C11 B1 1.5682(18) .
C12 H12 0.9500 .
C12 C13 1.3771(18) .
C13 C14 1.3765(18) .
C14 H14 0.9500 .
C14 C15 1.3761(19) .
C15 C16 1.3761(17) .
C16 H16 0.9500 .
C17 H17 0.9500 .
C17 C18 1.4081(19) .
C17 C26 1.3765(17) .
C18 H18 0.9500 .
C18 C19 1.364(2) .
C19 H19 0.9500 .
C19 C20 1.4147(18) .
C20 C21 1.4203(18) .
C20 C25 1.4244(16) .
C21 H21 0.9500 .
C21 C22 1.3647(19) .
C22 H22 0.9500 .
C22 C23 1.4048(18) .
C23 H23 0.9500 .
C23 C24 1.3823(17) .
C24 C25 1.4232(16) .
C25 C26 1.4252(17) .
C27 C28 1.3996(17) .
C27 C32 1.3946(17) .
C27 B2 1.5741(18) .
C28 H28 0.9500 .
C28 C29 1.3768(18) .
C29 C30 1.3753(19) .
C30 H30 0.9500 .
C30 C31 1.3733(19) .
C31 C32 1.3776(18) .
C32 H32 0.9500 .
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
F1 C13 C14 C15 -179.71(12) . . . .
F2 C15 C16 C11 -179.96(11) . . . .
F3 C31 C32 C27 -179.55(11) . . . .
F4 C29 C30 C31 179.48(12) . . . .
N2 C8 C9 C4 178.32(10) . . . .
N2 C8 C9 C10 -2.28(17) . . . .
N4 C24 C25 C20 -178.89(10) . . . .
N4 C24 C25 C26 1.75(17) . . . .
C1 C2 C3 C4 2.9(2) . . . .
C2 C1 C10 N1 175.92(11) . . . .
C2 C1 C10 C9 -3.35(18) . . . .
C2 C3 C4 C5 177.13(13) . . . .
C2 C3 C4 C9 -2.09(19) . . . .
C3 C4 C5 C6 -176.84(12) . . . .
C3 C4 C9 C8 178.10(11) . . . .
C3 C4 C9 C10 -1.31(17) . . . .
C4 C5 C6 C7 -1.3(2) . . . .
C4 C9 C10 N1 -175.27(10) . . . .
C4 C9 C10 C1 4.03(17) . . . .
C5 C4 C9 C8 -1.15(17) . . . .
C5 C4 C9 C10 179.44(11) . . . .
C5 C6 C7 C8 -1.2(2) . . . .
C6 C7 C8 N2 -177.12(12) . . . .
C6 C7 C8 C9 2.38(19) . . . .
C7 C8 C9 C4 -1.21(18) . . . .
C7 C8 C9 C10 178.19(11) . . . .
C8 N2 B1 N1 5.04(18) . . . .
C8 N2 B1 C11 -172.97(11) . . . .
C8 C9 C10 N1 5.33(17) . . . .
C8 C9 C10 C1 -175.37(11) . . . .
C9 C4 C5 C6 2.38(19) . . . .
C10 N1 B1 N2 -1.71(18) . . . .
C10 N1 B1 C11 176.33(11) . . . .
C10 C1 C2 C3 -0.1(2) . . . .
C11 C12 C13 F1 -179.28(12) . . . .
C11 C12 C13 C14 0.1(2) . . . .
C12 C11 C16 C15 0.71(18) . . . .
C12 C11 B1 N1 -27.21(18) . . . .
C12 C11 B1 N2 150.72(12) . . . .
C12 C13 C14 C15 0.9(2) . . . .
C13 C14 C15 F2 179.16(12) . . . .
C13 C14 C15 C16 -1.2(2) . . . .
C14 C15 C16 C11 0.4(2) . . . .
C16 C11 C12 C13 -0.92(18) . . . .
C16 C11 B1 N1 152.90(12) . . . .
C16 C11 B1 N2 -29.18(18) . . . .
C17 C18 C19 C20 -2.0(2) . . . .
C18 C17 C26 N3 -178.25(11) . . . .
C18 C17 C26 C25 1.70(18) . . . .
C18 C19 C20 C21 -177.61(13) . . . .
C18 C19 C20 C25 1.45(19) . . . .
C19 C20 C21 C22 177.74(12) . . . .
C19 C20 C25 C24 -178.75(11) . . . .
C19 C20 C25 C26 0.62(17) . . . .
C20 C21 C22 C23 1.1(2) . . . .
C20 C25 C26 N3 177.76(10) . . . .
C20 C25 C26 C17 -2.19(17) . . . .
C21 C20 C25 C24 0.35(17) . . . .
C21 C20 C25 C26 179.71(11) . . . .
C21 C22 C23 C24 0.2(2) . . . .
C22 C23 C24 N4 178.59(12) . . . .
C22 C23 C24 C25 -1.18(19) . . . .
C23 C24 C25 C20 0.89(18) . . . .
C23 C24 C25 C26 -178.47(12) . . . .
C24 N4 B2 N3 -4.00(18) . . . .
C24 N4 B2 C27 174.88(11) . . . .
C24 C25 C26 N3 -2.88(17) . . . .
C24 C25 C26 C17 177.17(11) . . . .
C25 C20 C21 C22 -1.31(19) . . . .
C26 N3 B2 N4 2.76(18) . . . .
C26 N3 B2 C27 -176.13(10) . . . .
C26 C17 C18 C19 0.4(2) . . . .
C27 C28 C29 F4 -179.51(12) . . . .
C27 C28 C29 C30 0.5(2) . . . .
C28 C27 C32 C31 -0.18(18) . . . .
C28 C27 B2 N3 20.88(18) . . . .
C28 C27 B2 N4 -157.95(12) . . . .
C28 C29 C30 C31 -0.5(2) . . . .
C29 C30 C31 F3 179.89(12) . . . .
C29 C30 C31 C32 0.2(2) . . . .
C30 C31 C32 C27 0.1(2) . . . .
C32 C27 C28 C29 -0.12(18) . . . .
C32 C27 B2 N3 -160.94(12) . . . .
C32 C27 B2 N4 20.23(18) . . . .
B1 N1 C10 C1 177.43(11) . . . .
B1 N1 C10 C9 -3.28(17) . . . .
B1 N2 C8 C7 176.43(12) . . . .
B1 N2 C8 C9 -3.09(17) . . . .
B1 C11 C12 C13 179.18(12) . . . .
B1 C11 C16 C15 -179.39(11) . . . .
B2 N3 C26 C17 -179.50(11) . . . .
B2 N3 C26 C25 0.55(17) . . . .
B2 N4 C24 C23 -177.95(12) . . . .
B2 N4 C24 C25 1.83(17) . . . .
B2 C27 C28 C29 178.13(12) . . . .
B2 C27 C32 C31 -178.40(11) . . . .
