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#$Date: 2023-11-14 00:55:56 +0200 (Tue, 14 Nov 2023) $
#$Revision: 287567 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/23/7132335.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_7132335
loop_
_publ_author_name
'von Köller, Heinrich'
'Geffers, Finn'
'Kalvani, Pedram'
'Foraita, Adrian'
'Loß, Patrick-Eric'
'Butschke, Burkhard'
'Jones, P. G.'
'Werz, Daniel B.'
_publ_section_title
;
 Access to isoindole-derived BODIPYs by an aminopalladation cascade
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D3CC04913B
_journal_year                    2023
_chemical_formula_moiety         'C24 H19 B F2 N2'
_chemical_formula_sum            'C24 H19 B F2 N2'
_chemical_formula_weight         384.22
_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     direct
_audit_creation_method
;FinalCif V123 by Daniel Kratzert, Freiburg 2023, 
https://dkratzert.de/finalcif.html
;
_audit_update_record
;
2023-07-25 deposited with the CCDC.	2023-11-13 downloaded from the CCDC.
;
_cell_angle_alpha                97.995(7)
_cell_angle_beta                 93.450(7)
_cell_angle_gamma                95.353(7)
_cell_formula_units_Z            2
_cell_length_a                   7.0095(10)
_cell_length_b                   10.7904(16)
_cell_length_c                   12.520(3)
_cell_measurement_reflns_used    5058
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.2895
_cell_measurement_theta_min      2.338
_cell_volume                     931.1(3)
_computing_cell_refinement       'SAINT V8.40B'
_computing_data_collection
'Bruker BIS 8.5.0.27 Release/2023-03-20 && APEX4 2022.10-1'
_computing_data_reduction        'SAINT V8.40B'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT (G. Sheldrick)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0657
_diffrn_reflns_av_unetI/netI     0.0262
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5698
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.616
_diffrn_reflns_theta_min         1.647
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    0.094
_exptl_absorpt_correction_T_max  0.74607
_exptl_absorpt_correction_T_min  0.708148
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;TWINABS - Bruker AXS scaling for twinned crystals - Version 2012/1: Krause, L., 
Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.371
_exptl_crystal_description       plate
_exptl_crystal_F_000             400
_exptl_crystal_recrystallization_method
'Crystals were obtained at room temperature by slow solvent evaporation from asolution of the compound dissolved in a mixture of pentane and dichloromethane.'
_exptl_crystal_size_max          0.152
_exptl_crystal_size_mid          0.124
_exptl_crystal_size_min          0.058
_refine_diff_density_max         0.399
_refine_diff_density_min         -0.284
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         5698
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0597
_refine_ls_R_factor_gt           0.0458
_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)+(0.0482P)²+0.3243P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1070
_refine_ls_wR_factor_ref         0.1174
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4725
_reflns_number_total             5698
_reflns_threshold_expression     'I > 2σ(I)'
_twin_special_details
'The data was integrated as a 2-component twin.'
_twin_individual_id              2
_twin_individual_twin_matrix_11  -0.0002
_twin_individual_twin_matrix_12  0.00028
_twin_individual_twin_matrix_13  1.0
_twin_individual_twin_matrix_21  -1.0
_twin_individual_twin_matrix_22  -0.00021
_twin_individual_twin_matrix_23  -0.28783
_twin_individual_twin_matrix_31  0.00025
_twin_individual_twin_matrix_32  -1.0
_twin_individual_twin_matrix_33  -0.21396
_cod_data_source_file            d3cc04913b2.cif
_cod_data_source_block           mo_Werz_hk_06_069_0m_5
_cod_database_code               7132335
_shelx_shelxl_version_number     2019/3
_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.
;
_shelx_estimated_absorpt_t_min   0.986
_shelx_estimated_absorpt_t_max   0.995
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
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
F1 F 0.37275(14) 0.74175(8) 0.86489(7) 0.0264(2) Uani 1 1 d . . . . .
F2 F 0.04727(14) 0.71758(7) 0.83861(7) 0.02461(19) Uani 1 1 d . . . . .
N1 N 0.22293(16) 0.86698(10) 0.74609(8) 0.0148(2) Uani 1 1 d . . . . .
N2 N 0.23140(15) 0.63631(9) 0.69115(8) 0.0135(2) Uani 1 1 d . . . . .
C1 C 0.22936(19) 0.98320(12) 0.80492(10) 0.0169(2) Uani 1 1 d . . . . .
H1 H 0.235517 1.000176 0.881640 0.020 Uiso 1 1 calc R U . . .
C2 C 0.2256(2) 1.07349(12) 0.73602(10) 0.0188(2) Uani 1 1 d . . . . .
H2 H 0.228941 1.161804 0.756809 0.023 Uiso 1 1 calc R U . . .
C3 C 0.21585(19) 1.00980(12) 0.63011(10) 0.0179(2) Uani 1 1 d . . . . .
H3 H 0.210769 1.046495 0.565413 0.021 Uiso 1 1 calc R U . . .
C4 C 0.21508(18) 0.88174(11) 0.63801(10) 0.0154(2) Uani 1 1 d . . . . .
C5 C 0.21674(17) 0.77641(11) 0.55615(10) 0.0142(2) Uani 1 1 d . . . . .
C6 C 0.22461(18) 0.65654(11) 0.58215(9) 0.0139(2) Uani 1 1 d . . . . .
C7 C 0.24320(17) 0.53843(11) 0.51662(10) 0.0141(2) Uani 1 1 d . . . . .
C8 C 0.24224(19) 0.49923(12) 0.40522(10) 0.0169(2) Uani 1 1 d . . . . .
H8 H 0.224972 0.556538 0.355159 0.020 Uiso 1 1 calc R U . . .
C9 C 0.26712(19) 0.37475(13) 0.36980(10) 0.0189(2) Uani 1 1 d . . . . .
H9 H 0.266523 0.346880 0.294372 0.023 Uiso 1 1 calc R U . . .
C10 C 0.2933(2) 0.28844(12) 0.44277(11) 0.0193(2) Uani 1 1 d . . . . .
H10 H 0.311661 0.203931 0.416023 0.023 Uiso 1 1 calc R U . . .
C11 C 0.29241(19) 0.32559(12) 0.55308(10) 0.0177(2) Uani 1 1 d . . . . .
H11 H 0.308968 0.267671 0.602675 0.021 Uiso 1 1 calc R U . . .
C12 C 0.26647(18) 0.45086(11) 0.58924(10) 0.0148(2) Uani 1 1 d . . . . .
C13 C 0.25658(18) 0.51583(11) 0.69638(9) 0.0143(2) Uani 1 1 d . . . . .
C14 C 0.26802(19) 0.45837(11) 0.79639(9) 0.0154(2) Uani 1 1 d . . . . .
C15 C 0.4409(2) 0.41666(12) 0.83124(10) 0.0189(2) Uani 1 1 d . . . . .
H15 H 0.551306 0.428093 0.791865 0.023 Uiso 1 1 calc R U . . .
C16 C 0.4514(2) 0.35835(13) 0.92363(11) 0.0216(3) Uani 1 1 d . . . . .
H16 H 0.570131 0.332932 0.948822 0.026 Uiso 1 1 calc R U . . .
C17 C 0.2882(2) 0.33737(12) 0.97890(10) 0.0217(3) Uani 1 1 d . . . . .
H17 H 0.295036 0.296253 1.041161 0.026 Uiso 1 1 calc R U . . .
C18 C 0.1151(2) 0.37629(13) 0.94346(11) 0.0217(3) Uani 1 1 d . . . . .
H18 H 0.003317 0.360641 0.980794 0.026 Uiso 1 1 calc R U . . .
C19 C 0.1054(2) 0.43840(12) 0.85299(10) 0.0189(2) Uani 1 1 d . . . . .
H19 H -0.012209 0.467103 0.829956 0.023 Uiso 1 1 calc R U . . .
C20 C 0.22126(19) 0.79882(12) 0.44657(10) 0.0169(2) Uani 1 1 d . . . . .
C21 C 0.23178(19) 0.82332(12) 0.35648(10) 0.0180(2) Uani 1 1 d . . . . .
C22 C 0.2453(2) 0.84984(12) 0.24551(10) 0.0183(2) Uani 1 1 d . . . . .
H22A H 0.127643 0.810060 0.201584 0.022 Uiso 1 1 calc R U . . .
H22B H 0.355728 0.810150 0.215084 0.022 Uiso 1 1 calc R U . . .
C23 C 0.2694(2) 0.98953(12) 0.23450(10) 0.0186(2) Uani 1 1 d . . . . .
H23A H 0.164550 1.031791 0.268952 0.022 Uiso 1 1 calc R U . . .
H23B H 0.393085 1.029007 0.272012 0.022 Uiso 1 1 calc R U . . .
C24 C 0.2652(2) 1.00629(15) 0.11531(12) 0.0277(3) Uani 1 1 d . . . . .
H24A H 0.366843 0.962402 0.080898 0.042 Uiso 1 1 calc R U . . .
H24B H 0.286059 1.096058 0.109322 0.042 Uiso 1 1 calc R U . . .
H24C H 0.140047 0.971151 0.079192 0.042 Uiso 1 1 calc R U . . .
B1 B 0.2182(2) 0.74157(13) 0.79119(11) 0.0162(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'
N N 0.0061 0.0033 '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'
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
C1 N1 C4 107.59(10) . . ?
C1 N1 B1 126.24(10) . . ?
C4 N1 B1 126.14(10) . . ?
C13 N2 C6 109.34(10) . . ?
C13 N2 B1 125.76(10) . . ?
C6 N2 B1 124.87(10) . . ?
N1 C1 C2 109.77(11) . . ?
N1 C1 H1 125.1 . . ?
C2 C1 H1 125.1 . . ?
C1 C2 C3 107.10(11) . . ?
C1 C2 H2 126.5 . . ?
C3 C2 H2 126.5 . . ?
C4 C3 C2 106.75(11) . . ?
C4 C3 H3 126.6 . . ?
C2 C3 H3 126.6 . . ?
N1 C4 C3 108.79(11) . . ?
N1 C4 C5 120.75(11) . . ?
C3 C4 C5 130.38(11) . . ?
C6 C5 C4 121.08(11) . . ?
C6 C5 C20 120.75(11) . . ?
C4 C5 C20 118.07(11) . . ?
C5 C6 N2 120.38(11) . . ?
C5 C6 C7 131.67(11) . . ?
N2 C6 C7 107.75(10) . . ?
C8 C7 C12 119.69(11) . . ?
C8 C7 C6 134.16(11) . . ?
C12 C7 C6 106.14(10) . . ?
C9 C8 C7 118.31(11) . . ?
C9 C8 H8 120.8 . . ?
C7 C8 H8 120.8 . . ?
C8 C9 C10 121.67(12) . . ?
C8 C9 H9 119.2 . . ?
C10 C9 H9 119.2 . . ?
C11 C10 C9 120.62(12) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C10 C11 C12 117.96(12) . . ?
C10 C11 H11 121.0 . . ?
C12 C11 H11 121.0 . . ?
C11 C12 C7 121.73(11) . . ?
C11 C12 C13 130.81(11) . . ?
C7 C12 C13 107.45(11) . . ?
N2 C13 C12 109.29(10) . . ?
N2 C13 C14 125.33(11) . . ?
C12 C13 C14 125.36(11) . . ?
C19 C14 C15 119.62(11) . . ?
C19 C14 C13 120.63(11) . . ?
C15 C14 C13 119.64(12) . . ?
C16 C15 C14 120.08(13) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C17 C16 C15 119.97(13) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C18 C17 C16 120.22(12) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C17 C18 C19 119.99(13) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C14 C19 C18 120.07(13) . . ?
C14 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C21 C20 C5 176.46(14) . . ?
C20 C21 C22 178.53(14) . . ?
C21 C22 C23 114.66(11) . . ?
C21 C22 H22A 108.6 . . ?
C23 C22 H22A 108.6 . . ?
C21 C22 H22B 108.6 . . ?
C23 C22 H22B 108.6 . . ?
H22A C22 H22B 107.6 . . ?
C24 C23 C22 110.21(11) . . ?
C24 C23 H23A 109.6 . . ?
C22 C23 H23A 109.6 . . ?
C24 C23 H23B 109.6 . . ?
C22 C23 H23B 109.6 . . ?
H23A C23 H23B 108.1 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
F1 B1 F2 110.27(11) . . ?
F1 B1 N1 110.96(11) . . ?
F2 B1 N1 110.53(11) . . ?
F1 B1 N2 109.26(11) . . ?
F2 B1 N2 109.41(11) . . ?
N1 B1 N2 106.32(9) . . ?
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 B1 1.3798(17) . ?
F2 B1 1.3877(17) . ?
N1 C1 1.3586(16) . ?
N1 C4 1.3828(15) . ?
N1 B1 1.5354(17) . ?
N2 C13 1.3381(15) . ?
N2 C6 1.4104(15) . ?
N2 B1 1.5827(17) . ?
C1 C2 1.3892(17) . ?
C1 H1 0.9500 . ?
C2 C3 1.4007(18) . ?
C2 H2 0.9500 . ?
C3 C4 1.3985(17) . ?
C3 H3 0.9500 . ?
C4 C5 1.4220(17) . ?
C5 C6 1.3821(16) . ?
C5 C20 1.4275(17) . ?
C6 C7 1.4377(17) . ?
C7 C8 1.3995(17) . ?
C7 C12 1.4127(16) . ?
C8 C9 1.3850(18) . ?
C8 H8 0.9500 . ?
C9 C10 1.4086(18) . ?
C9 H9 0.9500 . ?
C10 C11 1.3839(18) . ?
C10 H10 0.9500 . ?
C11 C12 1.3967(17) . ?
C11 H11 0.9500 . ?
C12 C13 1.4332(17) . ?
C13 C14 1.4737(16) . ?
C14 C19 1.3934(18) . ?
C14 C15 1.3978(18) . ?
C15 C16 1.3928(17) . ?
C15 H15 0.9500 . ?
C16 C17 1.389(2) . ?
C16 H16 0.9500 . ?
C17 C18 1.388(2) . ?
C17 H17 0.9500 . ?
C18 C19 1.3954(17) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C21 1.1987(18) . ?
C21 C22 1.4637(17) . ?
C22 C23 1.5272(17) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.5268(18) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
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
C4 N1 C1 C2 0.06(15) . . . . ?
B1 N1 C1 C2 -178.03(12) . . . . ?
N1 C1 C2 C3 0.17(16) . . . . ?
C1 C2 C3 C4 -0.32(16) . . . . ?
C1 N1 C4 C3 -0.26(15) . . . . ?
B1 N1 C4 C3 177.83(12) . . . . ?
C1 N1 C4 C5 176.85(12) . . . . ?
B1 N1 C4 C5 -5.07(19) . . . . ?
C2 C3 C4 N1 0.36(15) . . . . ?
C2 C3 C4 C5 -176.38(13) . . . . ?
N1 C4 C5 C6 0.54(19) . . . . ?
C3 C4 C5 C6 176.94(13) . . . . ?
N1 C4 C5 C20 -175.90(12) . . . . ?
C3 C4 C5 C20 0.5(2) . . . . ?
C4 C5 C6 N2 -0.07(18) . . . . ?
C20 C5 C6 N2 176.28(11) . . . . ?
C4 C5 C6 C7 -174.28(13) . . . . ?
C20 C5 C6 C7 2.1(2) . . . . ?
C13 N2 C6 C5 -174.21(12) . . . . ?
B1 N2 C6 C5 3.90(18) . . . . ?
C13 N2 C6 C7 1.26(14) . . . . ?
B1 N2 C6 C7 179.36(11) . . . . ?
C5 C6 C7 C8 -7.0(2) . . . . ?
N2 C6 C7 C8 178.27(13) . . . . ?
C5 C6 C7 C12 173.07(13) . . . . ?
N2 C6 C7 C12 -1.69(13) . . . . ?
C12 C7 C8 C9 -0.89(18) . . . . ?
C6 C7 C8 C9 179.17(13) . . . . ?
C7 C8 C9 C10 -0.1(2) . . . . ?
C8 C9 C10 C11 0.8(2) . . . . ?
C9 C10 C11 C12 -0.5(2) . . . . ?
C10 C11 C12 C7 -0.52(19) . . . . ?
C10 C11 C12 C13 179.10(13) . . . . ?
C8 C7 C12 C11 1.23(19) . . . . ?
C6 C7 C12 C11 -178.81(12) . . . . ?
C8 C7 C12 C13 -178.47(11) . . . . ?
C6 C7 C12 C13 1.50(14) . . . . ?
C6 N2 C13 C12 -0.31(14) . . . . ?
B1 N2 C13 C12 -178.39(11) . . . . ?
C6 N2 C13 C14 -179.06(12) . . . . ?
B1 N2 C13 C14 2.9(2) . . . . ?
C11 C12 C13 N2 179.57(13) . . . . ?
C7 C12 C13 N2 -0.77(14) . . . . ?
C11 C12 C13 C14 -1.7(2) . . . . ?
C7 C12 C13 C14 177.98(12) . . . . ?
N2 C13 C14 C19 70.74(17) . . . . ?
C12 C13 C14 C19 -107.81(15) . . . . ?
N2 C13 C14 C15 -113.11(15) . . . . ?
C12 C13 C14 C15 68.33(17) . . . . ?
C19 C14 C15 C16 -1.63(19) . . . . ?
C13 C14 C15 C16 -177.81(12) . . . . ?
C14 C15 C16 C17 2.4(2) . . . . ?
C15 C16 C17 C18 -1.1(2) . . . . ?
C16 C17 C18 C19 -1.0(2) . . . . ?
C15 C14 C19 C18 -0.45(19) . . . . ?
C13 C14 C19 C18 175.69(12) . . . . ?
C17 C18 C19 C14 1.8(2) . . . . ?
C21 C22 C23 C24 -175.34(12) . . . . ?
C1 N1 B1 F1 -56.04(17) . . . . ?
C4 N1 B1 F1 126.23(13) . . . . ?
C1 N1 B1 F2 66.62(16) . . . . ?
C4 N1 B1 F2 -111.12(14) . . . . ?
C1 N1 B1 N2 -174.73(12) . . . . ?
C4 N1 B1 N2 7.53(17) . . . . ?
C13 N2 B1 F1 51.06(16) . . . . ?
C6 N2 B1 F1 -126.74(12) . . . . ?
C13 N2 B1 F2 -69.75(15) . . . . ?
C6 N2 B1 F2 112.45(12) . . . . ?
C13 N2 B1 N1 170.86(11) . . . . ?
C6 N2 B1 N1 -6.93(16) . . . . ?
