#------------------------------------------------------------------------------
#$Date: 2024-07-05 16:24:43 +0300 (Fri, 05 Jul 2024) $
#$Revision: 292801 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/30/7133052.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_7133052
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                108.894(5)
_cell_angle_beta                 103.287(5)
_cell_angle_gamma                96.811(5)
_cell_formula_units_Z            2
_cell_length_a                   9.3635(15)
_cell_length_b                   12.334(2)
_cell_length_c                   13.652(2)
_cell_measurement_reflns_used    9891
_cell_measurement_temperature    120.0
_cell_measurement_theta_max      31.87
_cell_measurement_theta_min      2.29
_cell_volume                     1419.5(4)
_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 0.995
_diffrn_measured_fraction_theta_max 0.839
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0618
_diffrn_reflns_av_unetI/netI     0.0483
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.839
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            46301
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.839
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.589
_diffrn_reflns_theta_min         2.286
_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    0.167
_exptl_absorpt_correction_T_max  0.7399
_exptl_absorpt_correction_T_min  0.7010
_exptl_absorpt_correction_type   none
_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    1.678
_exptl_crystal_description       block
_exptl_crystal_F_000             712
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.859
_refine_diff_density_min         -0.241
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         8683
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0715
_refine_ls_R_factor_gt           0.0445
_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)+(0.0491P)²+0.5009P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1088
_refine_ls_wR_factor_ref         0.1199
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6280
_reflns_number_total             8683
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4cc01645a2.cif
_cod_data_source_block           mo_21sep05lp1_0m
_cod_depositor_comments
'Adding full bibliography for 7133047--7133054.cif.'
_cod_database_code               7133052
_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   0.972
_shelx_estimated_absorpt_t_min   0.952
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 N1(H1), C15(H15), C13(H13), C10(H10), C11(H11), C12(H12), C5(H5), C4(H4),
 C1(H1A), C2(H2), C3(H3)
;
_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
F5 F 0.36355(9) 0.85428(8) 0.31116(7) 0.02998(19) Uani 1 1 d . . . . .
F6 F 0.84712(9) 0.70744(8) 0.57518(7) 0.0308(2) Uani 1 1 d . . . . .
F1 F 0.36942(9) 0.57634(8) 0.48301(7) 0.0314(2) Uani 1 1 d . . . . .
F10 F 0.43702(10) 0.89982(8) 0.58694(7) 0.0335(2) Uani 1 1 d . . . . .
F7 F 0.95318(10) 0.80997(8) 0.78871(7) 0.0329(2) Uani 1 1 d . . . . .
F11 F 0.78418(10) 0.97793(8) 0.54060(7) 0.0333(2) Uani 1 1 d . . . . .
F9 F 0.54669(11) 0.99964(8) 0.79925(7) 0.0330(2) Uani 1 1 d . . . . .
F8 F 0.80740(11) 0.95883(8) 0.90408(7) 0.0368(2) Uani 1 1 d . . . . .
F15 F 0.52693(11) 0.67292(8) 0.20551(7) 0.0363(2) Uani 1 1 d . . . . .
F4 F 0.06830(9) 0.82238(8) 0.27264(7) 0.0326(2) Uani 1 1 d . . . . .
F3 F -0.08132(9) 0.67505(9) 0.34478(8) 0.0372(2) Uani 1 1 d . . . . .
F2 F 0.07205(10) 0.55053(10) 0.44717(8) 0.0409(2) Uani 1 1 d . . . . .
F12 F 0.91834(11) 1.08709(8) 0.43896(9) 0.0423(2) Uani 1 1 d . . . . .
F13 F 0.86568(12) 0.99234(10) 0.22039(9) 0.0481(3) Uani 1 1 d . . . . .
F14 F 0.66793(14) 0.78357(11) 0.10604(8) 0.0522(3) Uani 1 1 d . . . . .
N1 N 0.61078(12) 0.61346(10) 0.39215(9) 0.0214(2) Uani 1 1 d . . . . .
H1 H 0.7005 0.6079 0.4254 0.026 Uiso 1 1 calc R U . . .
C22 C 0.63167(15) 0.79353(12) 0.56849(11) 0.0214(3) Uani 1 1 d . . . . .
C15 C 0.53082(15) 0.52078(12) 0.31475(11) 0.0235(3) Uani 1 1 d . . . . .
H15 H 0.4289 0.5222 0.2858 0.028 Uiso 1 1 calc R U . . .
C23 C 0.76415(15) 0.77692(12) 0.62724(11) 0.0227(3) Uani 1 1 d . . . . .
C14 C 0.57954(15) 0.41350(12) 0.26643(11) 0.0234(3) Uani 1 1 d . . . . .
C24 C 0.82446(15) 0.83032(13) 0.73794(11) 0.0252(3) Uani 1 1 d . . . . .
C16 C 0.38327(14) 0.71632(12) 0.39887(11) 0.0212(3) Uani 1 1 d . . . . .
C7 C 0.20643(19) 0.34493(12) 0.10531(11) 0.0294(3) Uani 1 1 d . . . . .
C27 C 0.56330(15) 0.87069(12) 0.63258(11) 0.0234(3) Uani 1 1 d . . . . .
C21 C 0.29807(15) 0.77612(12) 0.34520(11) 0.0226(3) Uani 1 1 d . . . . .
C28 C 0.65118(14) 0.81614(12) 0.37924(11) 0.0217(3) Uani 1 1 d . . . . .
C25 C 0.75148(17) 0.90617(13) 0.79683(11) 0.0268(3) Uani 1 1 d . . . . .
C26 C 0.61928(16) 0.92588(12) 0.74321(12) 0.0254(3) Uani 1 1 d . . . . .
C29 C 0.75209(15) 0.92319(12) 0.43312(12) 0.0246(3) Uani 1 1 d . . . . .
C20 C 0.14363(15) 0.76294(12) 0.32588(11) 0.0242(3) Uani 1 1 d . . . . .
C17 C 0.29957(15) 0.64048(13) 0.43103(11) 0.0243(3) Uani 1 1 d . . . . .
C9 C 0.47723(16) 0.32333(13) 0.17557(11) 0.0253(3) Uani 1 1 d . . . . .
C19 C 0.06781(15) 0.68858(14) 0.36166(12) 0.0270(3) Uani 1 1 d . . . . .
C18 C 0.14614(16) 0.62559(14) 0.41401(12) 0.0272(3) Uani 1 1 d . . . . .
C33 C 0.62768(16) 0.77449(13) 0.26808(12) 0.0263(3) Uani 1 1 d . . . . .
C8 C 0.32419(19) 0.33534(13) 0.13445(12) 0.0300(3) Uani 1 1 d . . . . .
C30 C 0.82410(16) 0.98284(13) 0.38129(13) 0.0294(3) Uani 1 1 d . . . . .
C13 C 0.72415(17) 0.39803(14) 0.30660(13) 0.0299(3) Uani 1 1 d . . . . .
H13 H 0.7928 0.4586 0.3677 0.036 Uiso 1 1 calc R U . . .
C10 C 0.52549(19) 0.22093(13) 0.12661(13) 0.0323(3) Uani 1 1 d . . . . .
H10 H 0.4590 0.1601 0.0646 0.039 Uiso 1 1 calc R U . . .
C32 C 0.69742(18) 0.83050(15) 0.21376(12) 0.0324(3) Uani 1 1 d . . . . .
C31 C 0.79703(17) 0.93585(14) 0.27157(14) 0.0321(3) Uani 1 1 d . . . . .
C6 C 0.04892(17) 0.35992(14) 0.07187(12) 0.0300(3) Uani 1 1 d . . . . .
C11 C 0.6689(2) 0.20802(15) 0.16799(14) 0.0362(4) Uani 1 1 d . . . . .
H11 H 0.7000 0.1383 0.1342 0.043 Uiso 1 1 calc R U . . .
C12 C 0.76808(19) 0.29585(15) 0.25844(14) 0.0357(4) Uani 1 1 d . . . . .
H12 H 0.8659 0.2855 0.2870 0.043 Uiso 1 1 calc R U . . .
C5 C -0.0647(2) 0.26753(16) -0.00533(14) 0.0398(4) Uani 1 1 d . . . . .
H5 H -0.0423 0.1932 -0.0374 0.048 Uiso 1 1 calc R U . . .
C4 C -0.2087(2) 0.28435(18) -0.03480(15) 0.0470(5) Uani 1 1 d . . . . .
H4 H -0.2850 0.2217 -0.0881 0.056 Uiso 1 1 calc R U . . .
C1 C 0.01329(19) 0.46833(16) 0.11796(13) 0.0374(4) Uani 1 1 d . . . . .
H1A H 0.0897 0.5320 0.1697 0.045 Uiso 1 1 calc R U . . .
B1 B 0.56720(16) 0.73835(13) 0.43587(12) 0.0206(3) Uani 1 1 d . . . . .
C2 C -0.1322(2) 0.48383(18) 0.08898(15) 0.0444(4) Uani 1 1 d . . . . .
H2 H -0.1557 0.5575 0.1215 0.053 Uiso 1 1 calc R U . . .
C3 C -0.2436(2) 0.3918(2) 0.01246(15) 0.0469(5) Uani 1 1 d . . . . .
H3 H -0.3437 0.4022 -0.0076 0.056 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'
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
C15 N1 H1 116.1 . . ?
C15 N1 B1 127.75(11) . . ?
B1 N1 H1 116.1 . . ?
C23 C22 C27 113.20(12) . . ?
C23 C22 B1 124.38(12) . . ?
C27 C22 B1 122.22(11) . . ?
N1 C15 H15 116.6 . . ?
N1 C15 C14 126.80(13) . . ?
C14 C15 H15 116.6 . . ?
F6 C23 C22 120.03(12) . . ?
F6 C23 C24 115.43(12) . . ?
C24 C23 C22 124.49(13) . . ?
C9 C14 C15 118.43(12) . . ?
C13 C14 C15 121.87(13) . . ?
C13 C14 C9 119.69(13) . . ?
F7 C24 C23 120.90(13) . . ?
F7 C24 C25 119.59(13) . . ?
C25 C24 C23 119.50(13) . . ?
C21 C16 B1 125.96(12) . . ?
C17 C16 C21 113.91(12) . . ?
C17 C16 B1 119.81(11) . . ?
C8 C7 C6 177.25(16) . . ?
F10 C27 C22 120.34(12) . . ?
F10 C27 C26 115.29(12) . . ?
C26 C27 C22 124.32(12) . . ?
F5 C21 C16 120.82(12) . . ?
F5 C21 C20 115.52(12) . . ?
C20 C21 C16 123.63(13) . . ?
C29 C28 B1 126.01(12) . . ?
C33 C28 C29 113.58(12) . . ?
C33 C28 B1 120.38(12) . . ?
F8 C25 C24 120.66(13) . . ?
F8 C25 C26 120.60(13) . . ?
C26 C25 C24 118.73(13) . . ?
F9 C26 C27 120.67(12) . . ?
F9 C26 C25 119.57(13) . . ?
C25 C26 C27 119.76(13) . . ?
F11 C29 C28 121.43(12) . . ?
F11 C29 C30 115.08(13) . . ?
C28 C29 C30 123.48(14) . . ?
F4 C20 C21 120.51(13) . . ?
F4 C20 C19 119.81(12) . . ?
C19 C20 C21 119.69(12) . . ?
F1 C17 C16 119.54(12) . . ?
F1 C17 C18 116.29(12) . . ?
C18 C17 C16 124.17(13) . . ?
C14 C9 C8 120.85(13) . . ?
C10 C9 C14 118.58(13) . . ?
C10 C9 C8 120.57(14) . . ?
F3 C19 C20 120.82(13) . . ?
F3 C19 C18 119.92(13) . . ?
C20 C19 C18 119.25(12) . . ?
F2 C18 C17 121.08(13) . . ?
F2 C18 C19 119.59(12) . . ?
C19 C18 C17 119.33(13) . . ?
F15 C33 C28 119.43(12) . . ?
F15 C33 C32 115.83(13) . . ?
C32 C33 C28 124.72(14) . . ?
C7 C8 C9 178.33(16) . . ?
F12 C30 C29 119.91(14) . . ?
F12 C30 C31 120.29(13) . . ?
C31 C30 C29 119.80(14) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 C14 120.69(15) . . ?
C12 C13 H13 119.7 . . ?
C9 C10 H10 119.8 . . ?
C11 C10 C9 120.48(15) . . ?
C11 C10 H10 119.8 . . ?
F14 C32 C33 120.61(15) . . ?
F14 C32 C31 120.35(14) . . ?
C31 C32 C33 119.04(14) . . ?
F13 C31 C30 120.50(15) . . ?
F13 C31 C32 120.11(15) . . ?
C30 C31 C32 119.38(13) . . ?
C5 C6 C7 121.40(15) . . ?
C1 C6 C7 119.64(14) . . ?
C1 C6 C5 118.96(15) . . ?
C10 C11 H11 119.6 . . ?
C10 C11 C12 120.76(15) . . ?
C12 C11 H11 119.6 . . ?
C13 C12 C11 119.78(15) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C6 C5 H5 120.0 . . ?
C4 C5 C6 119.98(17) . . ?
C4 C5 H5 120.0 . . ?
C5 C4 H4 119.6 . . ?
C5 C4 C3 120.72(17) . . ?
C3 C4 H4 119.6 . . ?
C6 C1 H1A 119.7 . . ?
C2 C1 C6 120.60(16) . . ?
C2 C1 H1A 119.7 . . ?
N1 B1 C22 109.00(10) . . ?
N1 B1 C16 107.21(11) . . ?
N1 B1 C28 103.55(10) . . ?
C22 B1 C28 112.00(11) . . ?
C16 B1 C22 109.99(11) . . ?
C16 B1 C28 114.66(11) . . ?
C1 C2 H2 120.0 . . ?
C1 C2 C3 119.92(18) . . ?
C3 C2 H2 120.0 . . ?
C4 C3 H3 120.1 . . ?
C2 C3 C4 119.80(17) . . ?
C2 C3 H3 120.1 . . ?
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
F5 C21 1.3425(16) . ?
F6 C23 1.3639(16) . ?
F1 C17 1.3528(15) . ?
F10 C27 1.3500(15) . ?
F7 C24 1.3404(16) . ?
F11 C29 1.3441(17) . ?
F9 C26 1.3453(16) . ?
F8 C25 1.3381(16) . ?
F15 C33 1.3584(18) . ?
F4 C20 1.3400(15) . ?
F3 C19 1.3426(16) . ?
F2 C18 1.3441(17) . ?
F12 C30 1.3446(18) . ?
F13 C31 1.3426(17) . ?
F14 C32 1.3408(18) . ?
N1 H1 0.8800 . ?
N1 C15 1.2787(18) . ?
N1 B1 1.6004(19) . ?
C22 C23 1.3905(18) . ?
C22 C27 1.3942(19) . ?
C22 B1 1.646(2) . ?
C15 H15 0.9500 . ?
C15 C14 1.4526(19) . ?
C23 C24 1.383(2) . ?
C14 C9 1.415(2) . ?
C14 C13 1.399(2) . ?
C24 C25 1.380(2) . ?
C16 C21 1.3922(18) . ?
C16 C17 1.3900(19) . ?
C16 B1 1.6417(19) . ?
C7 C8 1.117(2) . ?
C7 C6 1.492(2) . ?
C27 C26 1.380(2) . ?
C21 C20 1.3887(19) . ?
C28 C29 1.390(2) . ?
C28 C33 1.389(2) . ?
C28 B1 1.648(2) . ?
C25 C26 1.377(2) . ?
C29 C30 1.391(2) . ?
C20 C19 1.371(2) . ?
C17 C18 1.381(2) . ?
C9 C8 1.458(2) . ?
C9 C10 1.405(2) . ?
C19 C18 1.381(2) . ?
C33 C32 1.379(2) . ?
C30 C31 1.368(2) . ?
C13 H13 0.9500 . ?
C13 C12 1.379(2) . ?
C10 H10 0.9500 . ?
C10 C11 1.381(2) . ?
C32 C31 1.375(2) . ?
C6 C5 1.400(2) . ?
C6 C1 1.397(2) . ?
C11 H11 0.9500 . ?
C11 C12 1.389(3) . ?
C12 H12 0.9500 . ?
C5 H5 0.9500 . ?
C5 C4 1.376(3) . ?
C4 H4 0.9500 . ?
C4 C3 1.388(3) . ?
C1 H1A 0.9500 . ?
C1 C2 1.383(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.385(3) . ?
C3 H3 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
F5 C21 C20 F4 2.58(19) . . . . ?
F5 C21 C20 C19 -177.38(13) . . . . ?
F6 C23 C24 F7 -2.35(19) . . . . ?
F6 C23 C24 C25 177.27(12) . . . . ?
F1 C17 C18 F2 -0.4(2) . . . . ?
F1 C17 C18 C19 179.84(13) . . . . ?
F10 C27 C26 F9 2.37(19) . . . . ?
F10 C27 C26 C25 -177.06(13) . . . . ?
F7 C24 C25 F8 -0.5(2) . . . . ?
F7 C24 C25 C26 -179.95(13) . . . . ?
F11 C29 C30 F12 0.34(19) . . . . ?
F11 C29 C30 C31 -178.75(13) . . . . ?
F8 C25 C26 F9 0.6(2) . . . . ?
F8 C25 C26 C27 -179.94(13) . . . . ?
F15 C33 C32 F14 -1.7(2) . . . . ?
F15 C33 C32 C31 177.82(13) . . . . ?
F4 C20 C19 F3 -0.5(2) . . . . ?
F4 C20 C19 C18 178.37(13) . . . . ?
F3 C19 C18 F2 0.4(2) . . . . ?
F3 C19 C18 C17 -179.89(13) . . . . ?
F12 C30 C31 F13 0.9(2) . . . . ?
F12 C30 C31 C32 -178.40(13) . . . . ?
F14 C32 C31 F13 -0.1(2) . . . . ?
F14 C32 C31 C30 179.21(14) . . . . ?
N1 C15 C14 C9 -175.16(13) . . . . ?
N1 C15 C14 C13 4.2(2) . . . . ?
C22 C23 C24 F7 -179.82(13) . . . . ?
C22 C23 C24 C25 -0.2(2) . . . . ?
C22 C27 C26 F9 179.73(12) . . . . ?
C22 C27 C26 C25 0.3(2) . . . . ?
C15 N1 B1 C22 140.87(13) . . . . ?
C15 N1 B1 C16 21.85(18) . . . . ?
C15 N1 B1 C28 -99.75(15) . . . . ?
C15 C14 C9 C8 -2.9(2) . . . . ?
C15 C14 C9 C10 178.06(13) . . . . ?
C15 C14 C13 C12 -179.25(14) . . . . ?
C23 C22 C27 F10 177.17(12) . . . . ?
C23 C22 C27 C26 -0.1(2) . . . . ?
C23 C22 B1 N1 33.73(17) . . . . ?
C23 C22 B1 C16 151.00(13) . . . . ?
C23 C22 B1 C28 -80.26(16) . . . . ?
C23 C24 C25 F8 179.89(13) . . . . ?
C23 C24 C25 C26 0.4(2) . . . . ?
C14 C9 C10 C11 1.3(2) . . . . ?
C14 C13 C12 C11 1.1(2) . . . . ?
C24 C25 C26 F9 -179.91(12) . . . . ?
C24 C25 C26 C27 -0.5(2) . . . . ?
C16 C21 C20 F4 -179.28(13) . . . . ?
C16 C21 C20 C19 0.8(2) . . . . ?
C16 C17 C18 F2 179.93(14) . . . . ?
C16 C17 C18 C19 0.2(2) . . . . ?
C7 C6 C5 C4 -179.69(16) . . . . ?
C7 C6 C1 C2 -179.34(15) . . . . ?
C27 C22 C23 F6 -177.35(12) . . . . ?
C27 C22 C23 C24 0.0(2) . . . . ?
C27 C22 B1 N1 -151.91(12) . . . . ?
C27 C22 B1 C16 -34.63(17) . . . . ?
C27 C22 B1 C28 94.11(15) . . . . ?
C21 C16 C17 F1 179.30(12) . . . . ?
C21 C16 C17 C18 -1.1(2) . . . . ?
C21 C16 B1 N1 -128.93(14) . . . . ?
C21 C16 B1 C22 112.69(15) . . . . ?
C21 C16 B1 C28 -14.58(19) . . . . ?
C21 C20 C19 F3 179.45(13) . . . . ?
C21 C20 C19 C18 -1.7(2) . . . . ?
C28 C29 C30 F12 178.85(12) . . . . ?
C28 C29 C30 C31 -0.2(2) . . . . ?
C28 C33 C32 F14 179.90(14) . . . . ?
C28 C33 C32 C31 -0.6(2) . . . . ?
C29 C28 C33 F15 -177.37(12) . . . . ?
C29 C28 C33 C32 1.0(2) . . . . ?
C29 C28 B1 N1 -124.43(13) . . . . ?
C29 C28 B1 C22 -7.13(18) . . . . ?
C29 C28 B1 C16 119.11(14) . . . . ?
C29 C30 C31 F13 -179.99(13) . . . . ?
C29 C30 C31 C32 0.7(2) . . . . ?
C20 C19 C18 F2 -178.52(13) . . . . ?
C20 C19 C18 C17 1.2(2) . . . . ?
C17 C16 C21 F5 178.63(12) . . . . ?
C17 C16 C21 C20 0.6(2) . . . . ?
C17 C16 B1 N1 57.97(16) . . . . ?
C17 C16 B1 C22 -60.41(16) . . . . ?
C17 C16 B1 C28 172.31(12) . . . . ?
C9 C14 C13 C12 0.1(2) . . . . ?
C9 C10 C11 C12 -0.1(2) . . . . ?
C33 C28 C29 F11 177.85(12) . . . . ?
C33 C28 C29 C30 -0.6(2) . . . . ?
C33 C28 B1 N1 53.42(15) . . . . ?
C33 C28 B1 C22 170.72(12) . . . . ?
C33 C28 B1 C16 -63.05(17) . . . . ?
C33 C32 C31 F13 -179.63(13) . . . . ?
C33 C32 C31 C30 -0.3(2) . . . . ?
C8 C9 C10 C11 -177.72(14) . . . . ?
C13 C14 C9 C8 177.75(13) . . . . ?
C13 C14 C9 C10 -1.3(2) . . . . ?
C10 C11 C12 C13 -1.1(3) . . . . ?
C6 C5 C4 C3 -1.0(3) . . . . ?
C6 C1 C2 C3 -0.9(3) . . . . ?
C5 C6 C1 C2 0.9(3) . . . . ?
C5 C4 C3 C2 0.9(3) . . . . ?
C1 C6 C5 C4 0.1(3) . . . . ?
C1 C2 C3 C4 0.0(3) . . . . ?
B1 N1 C15 C14 170.69(13) . . . . ?
B1 C22 C23 F6 -2.5(2) . . . . ?
B1 C22 C23 C24 174.83(13) . . . . ?
B1 C22 C27 F10 2.2(2) . . . . ?
B1 C22 C27 C26 -175.00(13) . . . . ?
B1 C16 C21 F5 5.2(2) . . . . ?
B1 C16 C21 C20 -172.87(13) . . . . ?
B1 C16 C17 F1 -6.8(2) . . . . ?
B1 C16 C17 C18 172.83(13) . . . . ?
B1 C28 C29 F11 -4.2(2) . . . . ?
B1 C28 C29 C30 177.41(13) . . . . ?
B1 C28 C33 F15 4.53(19) . . . . ?
B1 C28 C33 C32 -177.11(13) . . . . ?
