#------------------------------------------------------------------------------
#$Date: 2024-07-05 16:24:43 +0300 (Fri, 05 Jul 2024) $
#$Revision: 292801 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/30/7133053.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_7133053
loop_
_publ_author_name
'Liang, Pei'
'Wei, Junhui'
'Wei, Yongliang'
'Wang, Xue'
'Liu, Fei'
'Wang, Tongdao'
_publ_section_title
;
 Hetero Diels-Alder reactions of isolable N-borylenamines.
;
_journal_issue                   46
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              5964
_journal_page_last               5967
_journal_paper_doi               10.1039/d4cc01645a
_journal_volume                  60
_journal_year                    2024
_chemical_formula_moiety         'C33 H11 B F15 N'
_chemical_formula_sum            'C33 H11 B F15 N'
_chemical_formula_weight         717.24
_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
_atom_sites_solution_primary     dual
_audit_creation_date             2024-03-13
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2024-05-07 deposited with the CCDC.	2024-05-13 downloaded from the CCDC.
;
_cell_angle_alpha                100.952(9)
_cell_angle_beta                 99.276(8)
_cell_angle_gamma                103.819(8)
_cell_formula_units_Z            2
_cell_length_a                   10.152(3)
_cell_length_b                   10.204(3)
_cell_length_c                   14.905(4)
_cell_measurement_reflns_used    8415
_cell_measurement_temperature    120.0
_cell_measurement_theta_max      27.719
_cell_measurement_theta_min      2.281
_cell_volume                     1437.1(7)
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120.0
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 5.6
_diffrn_detector_type            'Bruker SMART CCD 6000 area detector'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0671
_diffrn_reflns_av_unetI/netI     0.0724
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            29331
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.966
_diffrn_reflns_theta_min         2.281
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_target            Mo
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    0.165
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6736
_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    1.658
_exptl_crystal_description       block
_exptl_crystal_F_000             712
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.307
_refine_diff_density_min         -0.308
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         7436
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0951
_refine_ls_R_factor_gt           0.0492
_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)+(0.0498P)²+0.2302P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1082
_refine_ls_wR_factor_ref         0.1245
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4753
_reflns_number_total             7436
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4cc01645a2.cif
_cod_data_source_block           mo_22may01lp1_0m
_cod_depositor_comments
'Adding full bibliography for 7133047--7133054.cif.'
_cod_original_cell_volume        1437.0(7)
_cod_database_code               7133053
_shelx_shelxl_version_number     2014/7
_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   0.982
_shelx_estimated_absorpt_t_min   0.966
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B)
2.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C15(H15), C3(H3), C14(H14), C12(H12), C11(H11), C4(H4), C13(H13),
 C5(H5)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
F6 F 0.27763(11) 0.37607(12) 0.09055(7) 0.0330(3) Uani 1 1 d . . . . .
F10 F 0.43348(11) 0.15539(11) 0.32070(8) 0.0321(3) Uani 1 1 d . . . . .
F5 F 0.71295(11) 0.17718(11) 0.32569(7) 0.0294(3) Uani 1 1 d . . . . .
F15 F 0.40798(11) 0.43523(12) 0.41669(7) 0.0332(3) Uani 1 1 d . . . . .
F4 F 0.74241(12) -0.05603(11) 0.22041(9) 0.0390(3) Uani 1 1 d . . . . .
F1 F 0.59402(12) 0.33018(12) 0.05130(8) 0.0381(3) Uani 1 1 d . . . . .
F11 F 0.53194(12) 0.65661(12) 0.17975(9) 0.0417(3) Uani 1 1 d . . . . .
F8 F -0.01891(12) -0.02466(12) 0.13746(9) 0.0434(3) Uani 1 1 d . . . . .
F7 F 0.02493(12) 0.18446(13) 0.04792(8) 0.0437(3) Uani 1 1 d . . . . .
F9 F 0.18702(12) -0.04190(12) 0.27149(8) 0.0404(3) Uani 1 1 d . . . . .
F14 F 0.34794(13) 0.66522(14) 0.50375(8) 0.0462(3) Uani 1 1 d . . . . .
F2 F 0.63692(14) 0.10166(14) -0.05220(8) 0.0484(3) Uani 1 1 d . . . . .
F13 F 0.37721(13) 0.89063(13) 0.42730(10) 0.0525(4) Uani 1 1 d . . . . .
F3 F 0.70207(13) -0.09548(13) 0.03171(9) 0.0493(4) Uani 1 1 d . . . . .
F12 F 0.46589(14) 0.88324(12) 0.26349(11) 0.0531(4) Uani 1 1 d . . . . .
N1 N 0.63271(15) 0.38367(14) 0.24504(10) 0.0212(3) Uani 1 1 d . . . . .
C22 C 0.36472(18) 0.27175(18) 0.20644(12) 0.0215(4) Uani 1 1 d . . . . .
C27 C 0.33631(19) 0.16193(18) 0.25004(13) 0.0244(4) Uani 1 1 d . . . . .
C2 C 0.87172(18) 0.52123(18) 0.24132(12) 0.0230(4) Uani 1 1 d . . . . .
C23 C 0.25692(19) 0.27396(19) 0.13739(12) 0.0245(4) Uani 1 1 d . . . . .
C8 C 1.02932(19) 0.41208(19) 0.32797(13) 0.0252(4) Uani 1 1 d . . . . .
C7 C 0.99932(18) 0.48727(18) 0.25806(12) 0.0232(4) Uani 1 1 d . . . . .
C21 C 0.69134(18) 0.16011(18) 0.23274(12) 0.0230(4) Uani 1 1 d . . . . .
C10 C 1.06986(19) 0.27479(18) 0.45832(12) 0.0250(4) Uani 1 1 d . . . . .
C9 C 1.05298(19) 0.34885(19) 0.38600(13) 0.0263(4) Uani 1 1 d . . . . .
C28 C 0.47720(18) 0.54079(18) 0.29807(13) 0.0248(4) Uani 1 1 d . . . . .
C1 C 0.76554(18) 0.48686(19) 0.29990(12) 0.0239(4) Uani 1 1 d . . . . .
H1A H 0.8058 0.4494 0.3511 0.029 Uiso 1 1 calc R U . . .
H1B H 0.7451 0.5734 0.3287 0.029 Uiso 1 1 calc R U . . .
C6 C 1.0990(2) 0.5289(2) 0.20620(13) 0.0295(4) Uani 1 1 d . . . . .
H6 H 1.1860 0.5090 0.2187 0.035 Uiso 1 1 calc R U . . .
C16 C 0.65124(17) 0.25943(18) 0.19113(12) 0.0218(4) Uani 1 1 d . . . . .
C33 C 0.42735(19) 0.54762(19) 0.37937(13) 0.0267(4) Uani 1 1 d . . . . .
C15 C 0.9755(2) 0.2661(2) 0.51732(13) 0.0304(4) Uani 1 1 d . . . . .
H15 H 0.9025 0.3091 0.5093 0.036 Uiso 1 1 calc R U . . .
C29 C 0.48918(19) 0.6572(2) 0.26141(14) 0.0297(4) Uani 1 1 d . . . . .
C17 C 0.63282(19) 0.2368(2) 0.09443(13) 0.0278(4) Uani 1 1 d . . . . .
C26 C 0.2099(2) 0.06157(19) 0.22711(13) 0.0280(4) Uani 1 1 d . . . . .
C32 C 0.3940(2) 0.6631(2) 0.42420(14) 0.0322(5) Uani 1 1 d . . . . .
C25 C 0.10569(19) 0.0708(2) 0.15918(14) 0.0308(4) Uani 1 1 d . . . . .
C20 C 0.70802(19) 0.04075(19) 0.17920(14) 0.0281(4) Uani 1 1 d . . . . .
C24 C 0.12835(19) 0.1770(2) 0.11399(13) 0.0291(4) Uani 1 1 d . . . . .
C3 C 0.8476(2) 0.5911(2) 0.17180(14) 0.0309(4) Uani 1 1 d . . . . .
H3 H 0.7621 0.6140 0.1598 0.037 Uiso 1 1 calc R U . . .
C30 C 0.4551(2) 0.7741(2) 0.30288(16) 0.0344(5) Uani 1 1 d . . . . .
C31 C 0.4093(2) 0.7771(2) 0.38518(16) 0.0362(5) Uani 1 1 d . . . . .
C19 C 0.6890(2) 0.0217(2) 0.08375(14) 0.0338(5) Uani 1 1 d . . . . .
C18 C 0.6528(2) 0.1200(2) 0.04092(13) 0.0324(5) Uani 1 1 d . . . . .
C14 C 0.9879(2) 0.1952(2) 0.58725(14) 0.0374(5) Uani 1 1 d . . . . .
H14 H 0.9237 0.1900 0.6272 0.045 Uiso 1 1 calc R U . . .
C12 C 1.1879(2) 0.1393(2) 0.54129(15) 0.0382(5) Uani 1 1 d . . . . .
H12 H 1.2602 0.0955 0.5497 0.046 Uiso 1 1 calc R U . . .
C11 C 1.1768(2) 0.2108(2) 0.47104(14) 0.0315(4) Uani 1 1 d . . . . .
H11 H 1.2418 0.2162 0.4316 0.038 Uiso 1 1 calc R U . . .
C4 C 0.9460(2) 0.6283(2) 0.11914(15) 0.0377(5) Uani 1 1 d . . . . .
H4 H 0.9265 0.6742 0.0709 0.045 Uiso 1 1 calc R U . . .
C13 C 1.0936(2) 0.1320(2) 0.59910(15) 0.0418(6) Uani 1 1 d . . . . .
H13 H 1.1016 0.0833 0.6471 0.050 Uiso 1 1 calc R U . . .
C5 C 1.0721(2) 0.5983(2) 0.13722(14) 0.0364(5) Uani 1 1 d . . . . .
H5 H 1.1401 0.6254 0.1023 0.044 Uiso 1 1 calc R U . . .
B1 B 0.5011(2) 0.3987(2) 0.24741(14) 0.0215(4) 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'
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
C16 N1 C1 113.89(14) . . ?
B1 N1 C1 124.97(15) . . ?
B1 N1 C16 121.06(15) . . ?
C27 C22 B1 120.90(16) . . ?
C23 C22 C27 115.32(16) . . ?
C23 C22 B1 122.84(16) . . ?
F10 C27 C22 119.10(16) . . ?
F10 C27 C26 117.68(16) . . ?
C26 C27 C22 123.15(17) . . ?
C7 C2 C1 121.00(16) . . ?
C3 C2 C7 118.59(16) . . ?
C3 C2 C1 120.37(17) . . ?
F6 C23 C22 118.74(16) . . ?
F6 C23 C24 118.17(16) . . ?
C24 C23 C22 123.09(17) . . ?
C9 C8 C7 179.4(2) . . ?
C2 C7 C8 121.22(16) . . ?
C6 C7 C2 119.29(16) . . ?
C6 C7 C8 119.49(16) . . ?
F5 C21 C16 120.42(15) . . ?
F5 C21 C20 118.56(16) . . ?
C20 C21 C16 121.02(16) . . ?
C15 C10 C9 118.71(17) . . ?
C15 C10 C11 119.12(17) . . ?
C11 C10 C9 122.17(17) . . ?
C8 C9 C10 174.68(19) . . ?
C33 C28 C29 115.78(17) . . ?
C33 C28 B1 119.42(16) . . ?
C29 C28 B1 124.45(16) . . ?
N1 C1 C2 113.26(14) . . ?
N1 C1 H1A 108.9 . . ?
N1 C1 H1B 108.9 . . ?
C2 C1 H1A 108.9 . . ?
C2 C1 H1B 108.9 . . ?
H1A C1 H1B 107.7 . . ?
C7 C6 H6 119.6 . . ?
C5 C6 C7 120.88(18) . . ?
C5 C6 H6 119.6 . . ?
C21 C16 N1 122.08(15) . . ?
C17 C16 N1 120.27(16) . . ?
C17 C16 C21 117.63(16) . . ?
F15 C33 C28 118.69(16) . . ?
F15 C33 C32 117.95(17) . . ?
C28 C33 C32 123.36(18) . . ?
C10 C15 H15 119.8 . . ?
C14 C15 C10 120.41(19) . . ?
C14 C15 H15 119.8 . . ?
F11 C29 C28 119.43(16) . . ?
F11 C29 C30 117.61(17) . . ?
C30 C29 C28 122.93(18) . . ?
F1 C17 C16 119.60(17) . . ?
F1 C17 C18 118.74(16) . . ?
C18 C17 C16 121.65(17) . . ?
F9 C26 C27 121.04(17) . . ?
F9 C26 C25 120.04(17) . . ?
C25 C26 C27 118.90(17) . . ?
F14 C32 C33 121.04(18) . . ?
F14 C32 C31 120.44(17) . . ?
C33 C32 C31 118.53(18) . . ?
F8 C25 C26 119.54(17) . . ?
F8 C25 C24 120.20(18) . . ?
C24 C25 C26 120.25(17) . . ?
F4 C20 C21 120.12(17) . . ?
F4 C20 C19 120.06(17) . . ?
C19 C20 C21 119.82(17) . . ?
F7 C24 C23 121.39(17) . . ?
F7 C24 C25 119.34(17) . . ?
C25 C24 C23 119.27(17) . . ?
C2 C3 H3 119.3 . . ?
C2 C3 C4 121.42(19) . . ?
C4 C3 H3 119.3 . . ?
F12 C30 C29 120.65(19) . . ?
F12 C30 C31 120.29(17) . . ?
C31 C30 C29 119.06(18) . . ?
F13 C31 C32 119.7(2) . . ?
F13 C31 C30 119.98(19) . . ?
C30 C31 C32 120.32(17) . . ?
F3 C19 C20 119.78(19) . . ?
F3 C19 C18 119.81(18) . . ?
C20 C19 C18 120.39(17) . . ?
F2 C18 C17 120.58(18) . . ?
F2 C18 C19 119.98(18) . . ?
C19 C18 C17 119.45(17) . . ?
C15 C14 H14 120.0 . . ?
C15 C14 C13 120.1(2) . . ?
C13 C14 H14 120.0 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 H12 120.0 . . ?
C13 C12 C11 120.0(2) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 120.01(19) . . ?
C12 C11 H11 120.0 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 119.93(18) . . ?
C5 C4 H4 120.0 . . ?
C14 C13 C12 120.39(19) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C6 C5 H5 120.1 . . ?
C4 C5 C6 119.85(18) . . ?
C4 C5 H5 120.1 . . ?
N1 B1 C22 122.01(16) . . ?
N1 B1 C28 122.16(16) . . ?
C22 B1 C28 115.68(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
F6 C23 1.355(2) . ?
F10 C27 1.345(2) . ?
F5 C21 1.338(2) . ?
F15 C33 1.354(2) . ?
F4 C20 1.342(2) . ?
F1 C17 1.344(2) . ?
F11 C29 1.356(2) . ?
F8 C25 1.347(2) . ?
F7 C24 1.346(2) . ?
F9 C26 1.343(2) . ?
F14 C32 1.341(2) . ?
F2 C18 1.343(2) . ?
F13 C31 1.346(2) . ?
F3 C19 1.343(2) . ?
F12 C30 1.345(2) . ?
N1 C1 1.495(2) . ?
N1 C16 1.437(2) . ?
N1 B1 1.386(3) . ?
C22 C27 1.394(2) . ?
C22 C23 1.384(3) . ?
C22 B1 1.593(3) . ?
C27 C26 1.382(3) . ?
C2 C7 1.415(3) . ?
C2 C1 1.512(2) . ?
C2 C3 1.387(3) . ?
C23 C24 1.382(3) . ?
C8 C7 1.442(2) . ?
C8 C9 1.200(3) . ?
C7 C6 1.405(2) . ?
C21 C16 1.390(2) . ?
C21 C20 1.386(3) . ?
C10 C9 1.440(2) . ?
C10 C15 1.400(3) . ?
C10 C11 1.400(3) . ?
C28 C33 1.383(3) . ?
C28 C29 1.387(3) . ?
C28 B1 1.595(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C6 H6 0.9500 . ?
C6 C5 1.383(3) . ?
C16 C17 1.390(2) . ?
C33 C32 1.383(3) . ?
C15 H15 0.9500 . ?
C15 C14 1.383(3) . ?
C29 C30 1.382(3) . ?
C17 C18 1.380(3) . ?
C26 C25 1.376(3) . ?
C32 C31 1.384(3) . ?
C25 C24 1.375(3) . ?
C20 C19 1.374(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.394(3) . ?
C30 C31 1.378(3) . ?
C19 C18 1.376(3) . ?
C14 H14 0.9500 . ?
C14 C13 1.383(3) . ?
C12 H12 0.9500 . ?
C12 C11 1.390(3) . ?
C12 C13 1.386(3) . ?
C11 H11 0.9500 . ?
C4 H4 0.9500 . ?
C4 C5 1.383(3) . ?
C13 H13 0.9500 . ?
C5 H5 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
_geom_torsion_publ_flag
F6 C23 C24 F7 -1.3(3) . . . . ?
F6 C23 C24 C25 178.68(17) . . . . ?
F10 C27 C26 F9 -2.5(3) . . . . ?
F10 C27 C26 C25 175.92(16) . . . . ?
F5 C21 C16 N1 0.6(3) . . . . ?
F5 C21 C16 C17 178.90(15) . . . . ?
F5 C21 C20 F4 1.3(3) . . . . ?
F5 C21 C20 C19 -178.81(16) . . . . ?
F15 C33 C32 F14 2.0(3) . . . . ?
F15 C33 C32 C31 -178.03(17) . . . . ?
F4 C20 C19 F3 1.4(3) . . . . ?
F4 C20 C19 C18 179.54(17) . . . . ?
F1 C17 C18 F2 1.6(3) . . . . ?
F1 C17 C18 C19 -178.34(17) . . . . ?
F11 C29 C30 F12 -0.7(3) . . . . ?
F11 C29 C30 C31 179.01(18) . . . . ?
F8 C25 C24 F7 -0.1(3) . . . . ?
F8 C25 C24 C23 179.95(17) . . . . ?
F9 C26 C25 F8 -0.2(3) . . . . ?
F9 C26 C25 C24 179.57(17) . . . . ?
F14 C32 C31 F13 -0.2(3) . . . . ?
F14 C32 C31 C30 -179.27(18) . . . . ?
F3 C19 C18 F2 -3.1(3) . . . . ?
F3 C19 C18 C17 176.79(17) . . . . ?
F12 C30 C31 F13 -1.1(3) . . . . ?
F12 C30 C31 C32 177.97(18) . . . . ?
N1 C16 C17 F1 -1.7(3) . . . . ?
N1 C16 C17 C18 178.58(17) . . . . ?
C22 C27 C26 F9 -179.57(16) . . . . ?
C22 C27 C26 C25 -1.1(3) . . . . ?
C22 C23 C24 F7 178.41(17) . . . . ?
C22 C23 C24 C25 -1.6(3) . . . . ?
C27 C22 C23 F6 -178.72(15) . . . . ?
C27 C22 C23 C24 1.6(3) . . . . ?
C27 C22 B1 N1 68.9(2) . . . . ?
C27 C22 B1 C28 -106.64(19) . . . . ?
C27 C26 C25 F8 -178.66(17) . . . . ?
C27 C26 C25 C24 1.1(3) . . . . ?
C2 C7 C6 C5 -2.1(3) . . . . ?
C2 C3 C4 C5 -1.4(3) . . . . ?
C23 C22 C27 F10 -177.19(15) . . . . ?
C23 C22 C27 C26 -0.2(3) . . . . ?
C23 C22 B1 N1 -122.8(2) . . . . ?
C23 C22 B1 C28 61.7(2) . . . . ?
C8 C7 C6 C5 178.52(18) . . . . ?
C7 C2 C1 N1 -115.61(18) . . . . ?
C7 C2 C3 C4 -0.3(3) . . . . ?
C7 C6 C5 C4 0.4(3) . . . . ?
C21 C16 C17 F1 179.98(15) . . . . ?
C21 C16 C17 C18 0.3(3) . . . . ?
C21 C20 C19 F3 -178.48(17) . . . . ?
C21 C20 C19 C18 -0.4(3) . . . . ?
C10 C15 C14 C13 -0.2(3) . . . . ?
C9 C10 C15 C14 179.65(17) . . . . ?
C9 C10 C11 C12 -179.36(18) . . . . ?
C28 C33 C32 F14 -178.99(17) . . . . ?
C28 C33 C32 C31 1.0(3) . . . . ?
C28 C29 C30 F12 -178.62(18) . . . . ?
C28 C29 C30 C31 1.1(3) . . . . ?
C1 N1 C16 C21 71.7(2) . . . . ?
C1 N1 C16 C17 -106.51(18) . . . . ?
C1 N1 B1 C22 -165.59(15) . . . . ?
C1 N1 B1 C28 9.7(3) . . . . ?
C1 C2 C7 C8 3.4(3) . . . . ?
C1 C2 C7 C6 -175.93(16) . . . . ?
C1 C2 C3 C4 177.68(18) . . . . ?
C16 N1 C1 C2 51.9(2) . . . . ?
C16 N1 B1 C22 11.0(3) . . . . ?
C16 N1 B1 C28 -173.71(15) . . . . ?
C16 C21 C20 F4 -177.84(16) . . . . ?
C16 C21 C20 C19 2.1(3) . . . . ?
C16 C17 C18 F2 -178.72(17) . . . . ?
C16 C17 C18 C19 1.4(3) . . . . ?
C33 C28 C29 F11 -177.35(16) . . . . ?
C33 C28 C29 C30 0.5(3) . . . . ?
C33 C28 B1 N1 -110.6(2) . . . . ?
C33 C28 B1 C22 64.9(2) . . . . ?
C33 C32 C31 F13 179.84(17) . . . . ?
C33 C32 C31 C30 0.8(3) . . . . ?
C15 C10 C11 C12 0.2(3) . . . . ?
C15 C14 C13 C12 0.1(3) . . . . ?
C29 C28 C33 F15 177.41(16) . . . . ?
C29 C28 C33 C32 -1.6(3) . . . . ?
C29 C28 B1 N1 76.4(2) . . . . ?
C29 C28 B1 C22 -108.0(2) . . . . ?
C29 C30 C31 F13 179.18(18) . . . . ?
C29 C30 C31 C32 -1.8(3) . . . . ?
C26 C25 C24 F7 -179.82(17) . . . . ?
C26 C25 C24 C23 0.2(3) . . . . ?
C20 C21 C16 N1 179.74(16) . . . . ?
C20 C21 C16 C17 -2.0(3) . . . . ?
C20 C19 C18 F2 178.77(18) . . . . ?
C20 C19 C18 C17 -1.3(3) . . . . ?
C3 C2 C7 C8 -178.63(17) . . . . ?
C3 C2 C7 C6 2.0(3) . . . . ?
C3 C2 C1 N1 66.5(2) . . . . ?
C3 C4 C5 C6 1.4(3) . . . . ?
C11 C10 C15 C14 0.0(3) . . . . ?
C11 C12 C13 C14 0.1(3) . . . . ?
C13 C12 C11 C10 -0.3(3) . . . . ?
B1 N1 C1 C2 -131.32(18) . . . . ?
B1 N1 C16 C21 -105.2(2) . . . . ?
B1 N1 C16 C17 76.5(2) . . . . ?
B1 C22 C27 F10 -8.0(2) . . . . ?
B1 C22 C27 C26 168.95(17) . . . . ?
B1 C22 C23 F6 12.4(3) . . . . ?
B1 C22 C23 C24 -167.35(17) . . . . ?
B1 C28 C33 F15 3.9(3) . . . . ?
B1 C28 C33 C32 -175.13(18) . . . . ?
B1 C28 C29 F11 -4.2(3) . . . . ?
B1 C28 C29 C30 173.72(18) . . . . ?
