#------------------------------------------------------------------------------
#$Date: 2023-11-14 00:55:56 +0200 (Tue, 14 Nov 2023) $
#$Revision: 287567 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/23/7132337.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_7132337
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         'C19 H14 B F2 N3'
_chemical_formula_sum            'C19 H14 B F2 N3'
_chemical_formula_weight         333.14
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     intrinsic
_audit_creation_date             2022-04-25
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2023-10-02 deposited with the CCDC.	2023-11-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.535(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.2238(3)
_cell_length_b                   15.6385(4)
_cell_length_c                   9.2476(3)
_cell_measurement_reflns_used    62015
_cell_measurement_temperature    100.0(5)
_cell_measurement_theta_max      38.2570
_cell_measurement_theta_min      2.2860
_cell_volume                     1556.05(8)
_computing_cell_refinement       'CrysAlisPro 1.171.42.51a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.51a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.51a (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    SHELXT
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.0(5)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     16.00  96.00   0.50   20.00    --   22.89  19.00 -71.00  160
  2  ω    -49.00   5.00   0.50   20.00    --   22.89 -19.00 120.00  108
  3  ω    -31.00  50.00   0.50   20.00    --  -23.67  19.00 -71.00  162
  4  ω    -97.00 -16.00   0.50   20.00    --  -23.67 -19.00 120.00  162
  5  ω      2.00  95.00   0.50   20.00    --   22.89  77.00 -90.00  186
  6  ω      2.00  95.00   0.50   20.00    --   22.89  77.00  30.00  186
  7  ω      2.00  95.00   0.50   20.00    --   22.89  77.00-150.00  186
  8  ω    -49.00   5.00   0.50   20.00    --   22.89 -19.00  90.00  108
  9  ω     15.00  95.00   0.50   20.00    --   22.89  37.00  60.00  160
 10  ω    -59.00   2.00   0.50   20.00    --  -23.67 106.00 -53.95  122
 11  ω    -61.00  -1.00   0.50   20.00    --  -23.67 110.00-130.67  120
 12  ω    -66.00  -9.00   0.50   20.00    --  -23.67 119.00 110.02  114
 13  ω    -61.00  -1.00   0.50   20.00    --  -23.67 110.00 145.74  120
 14  ω    -59.00   2.00   0.50   20.00    --  -23.67 106.00 101.52  122
 15  ω    -64.00  -6.00   0.50   20.00    --  -23.67 115.00 -16.16  116
 16  ω    -62.00  -2.00   0.50   20.00    --  -23.67 111.00  22.41  120
 17  ω    -95.00  -3.00   0.50   20.00    --  -23.67 -77.00  90.00  184
 18  ω    -56.00  18.00   0.50   20.00    --  -23.67 101.00-150.21  148
 19  ω    -64.00  -6.00   0.50   20.00    --  -23.67 115.00-100.92  116
 20  ω    -95.00 -11.00   0.50   20.00    --  -23.67 -57.00  90.00  168
 21  ω    -49.00   5.00   0.50   20.00    --   22.89 -19.00   0.00  108
 22  ω     15.00  95.00   0.50   20.00    --   22.89  37.00-150.00  160
 23  ω     15.00  95.00   0.50   20.00    --   22.89  37.00   0.00  160
 24  ω    -64.00  -6.00   0.50   20.00    --  -23.67 116.00  53.90  116
 25  ω    -71.00 -15.00   0.50   20.00    --  -23.67 129.00 173.78  112
 26  ω    -63.00  -5.00   0.50   20.00    --  -23.67 114.00  45.23  116
 27  ω    -67.00 -10.00   0.50   20.00    --  -23.67 121.00 149.30  114
 28  ω    -65.00  -7.00   0.50   20.00    --  -23.67 117.00-122.05  116
 29  ω    -64.00  -6.00   0.50   20.00    --  -23.67 116.00 -76.30  116
 30  ω    -64.00  -6.00   0.50   20.00    --  -23.67 115.00  93.93  116
 31  ω    -72.00 -16.00   0.50   20.00    --  -23.67 130.00 -18.35  112
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'XtaLAB Synergy, Single source at offset/far, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0560615000
_diffrn_orient_matrix_UB_12      -0.0101872000
_diffrn_orient_matrix_UB_13      -0.0558546000
_diffrn_orient_matrix_UB_21      0.0333680000
_diffrn_orient_matrix_UB_22      -0.0046977000
_diffrn_orient_matrix_UB_23      -0.0541439000
_diffrn_orient_matrix_UB_31      0.0094479000
_diffrn_orient_matrix_UB_32      -0.0439428000
_diffrn_orient_matrix_UB_33      0.0187639000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0445
_diffrn_reflns_av_unetI/netI     0.0179
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            142487
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        36.000
_diffrn_reflns_theta_max         36.316
_diffrn_reflns_theta_min         2.298
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.102
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.93844
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.51a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'pale brown'
_exptl_crystal_density_diffrn    1.422
_exptl_crystal_description       plate
_exptl_crystal_F_000             688
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.625
_refine_diff_density_min         -0.239
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     227
_refine_ls_number_reflns         7548
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0572
_refine_ls_R_factor_gt           0.0450
_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)+(0.0811P)²+0.1936P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1228
_refine_ls_wR_factor_ref         0.1314
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6027
_reflns_number_total             7548
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3cc04913b2.cif
_cod_data_source_block           gefbrau
_cod_original_cell_volume        1556.04(8)
_cod_database_code               7132337
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C19 H14 B F2 N3'
_chemical_oxdiff_usercomment     'Geffers/Werz FG7-646'
_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   0.996
_shelx_estimated_absorpt_t_min   0.983
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H,H,H,H) groups
2. Others
 Fixed Sof: H1A(0.5) H1B(0.5) H1C(0.5) H1D(0.5) H1E(0.5) H1F(0.5)
3.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), C15(H15),
 C16(H16), C17(H17), C18(H18)
3.b Disordered Me refined as rotating group:
 C1(H1A,H1B,H1C,H1D,H1E,H1F)
;
_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
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.258
_oxdiff_exptl_absorpt_empirical_full_min 0.858
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
C1 C -0.06108(7) 0.60296(6) 0.23825(9) 0.02476(15) Uani 1 1 d . . . . .
H1A H -0.104278 0.657014 0.241957 0.037 Uiso 0.5 1 calc R U P . .
H1B H -0.113844 0.555128 0.250359 0.037 Uiso 0.5 1 calc R U P . .
H1C H -0.043167 0.597998 0.140871 0.037 Uiso 0.5 1 calc R U P . .
H1D H -0.069914 0.549746 0.180168 0.037 Uiso 0.5 1 calc R U P . .
H1E H -0.060349 0.651633 0.171766 0.037 Uiso 0.5 1 calc R U P . .
H1F H -0.131025 0.608762 0.281254 0.037 Uiso 0.5 1 calc R U P . .
C2 C 0.05683(6) 0.60103(4) 0.36147(8) 0.01832(12) Uani 1 1 d . . . . .
C3 C 0.24309(8) 0.93207(5) 0.63491(10) 0.02549(15) Uani 1 1 d . . . . .
H3 H 0.256916 0.989941 0.666442 0.031 Uiso 1 1 calc R U . . .
C4 C 0.32027(7) 0.86393(5) 0.70276(9) 0.02172(13) Uani 1 1 d . . . . .
H4 H 0.393178 0.865948 0.785791 0.026 Uiso 1 1 calc R U . . .
C5 C 0.26516(6) 0.79268(4) 0.62013(8) 0.01716(11) Uani 1 1 d . . . . .
C6 C 0.30040(6) 0.70367(4) 0.63215(7) 0.01485(11) Uani 1 1 d . . . . .
C7 C 0.41764(6) 0.67911(4) 0.74583(8) 0.01713(12) Uani 1 1 d . . . . .
C8 C 0.53176(7) 0.70408(5) 0.72697(11) 0.02614(15) Uani 1 1 d . . . . .
H8 H 0.534161 0.736781 0.641271 0.031 Uiso 1 1 calc R U . . .
C9 C 0.64221(8) 0.68104(6) 0.83384(13) 0.0357(2) Uani 1 1 d . . . . .
H9 H 0.719830 0.697505 0.820377 0.043 Uiso 1 1 calc R U . . .
C10 C 0.63862(9) 0.63423(7) 0.95940(12) 0.0380(2) Uani 1 1 d . . . . .
H10 H 0.713866 0.618907 1.032478 0.046 Uiso 1 1 calc R U . . .
C11 C 0.52525(9) 0.60952(7) 0.97902(10) 0.0333(2) Uani 1 1 d . . . . .
H11 H 0.523271 0.577364 1.065470 0.040 Uiso 1 1 calc R U . . .
C12 C 0.41474(8) 0.63172(5) 0.87251(8) 0.02348(14) Uani 1 1 d . . . . .
H12 H 0.337393 0.614616 0.886015 0.028 Uiso 1 1 calc R U . . .
C13 C 0.22628(6) 0.64458(4) 0.54136(7) 0.01485(11) Uani 1 1 d . . . . .
C14 C 0.23751(6) 0.55239(4) 0.52805(7) 0.01591(11) Uani 1 1 d . . . . .
C15 C 0.32900(7) 0.49229(4) 0.59461(8) 0.01967(12) Uani 1 1 d . . . . .
H15 H 0.403859 0.509066 0.666962 0.024 Uiso 1 1 calc R U . . .
C16 C 0.30688(8) 0.40703(5) 0.55148(10) 0.02467(15) Uani 1 1 d . . . . .
H16 H 0.368074 0.365380 0.595495 0.030 Uiso 1 1 calc R U . . .
C17 C 0.19692(8) 0.38086(5) 0.44496(10) 0.02604(15) Uani 1 1 d . . . . .
H17 H 0.183822 0.321965 0.420405 0.031 Uiso 1 1 calc R U . . .
C18 C 0.10723(7) 0.44025(5) 0.37527(9) 0.02336(14) Uani 1 1 d . . . . .
H18 H 0.033395 0.423413 0.301162 0.028 Uiso 1 1 calc R U . . .
C19 C 0.12945(6) 0.52567(4) 0.41805(8) 0.01798(12) Uani 1 1 d . . . . .
B1 B 0.06671(7) 0.76477(5) 0.39954(9) 0.01852(13) Uani 1 1 d . . . . .
F1 F 0.06459(5) 0.78416(3) 0.25259(5) 0.02499(11) Uani 1 1 d . . . . .
F2 F -0.05099(4) 0.77333(3) 0.41724(6) 0.02425(11) Uani 1 1 d . . . . .
N1 N 0.11360(5) 0.66926(4) 0.43434(7) 0.01649(10) Uani 1 1 d . . . . .
N2 N 0.16192(6) 0.81986(4) 0.51279(7) 0.01878(11) Uani 1 1 d . . . . .
N3 N 0.14753(7) 0.90569(4) 0.52028(9) 0.02438(13) 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
C19 C2 C1 125.75(6) . . ?
N1 C2 C1 124.77(6) . . ?
N1 C2 C19 109.45(6) . . ?
N3 C3 C4 111.90(7) . . ?
C5 C4 C3 103.94(7) . . ?
C4 C5 C6 131.34(7) . . ?
N2 C5 C4 107.65(6) . . ?
N2 C5 C6 121.01(6) . . ?
C5 C6 C7 118.24(6) . . ?
C13 C6 C5 120.09(6) . . ?
C13 C6 C7 121.67(6) . . ?
C8 C7 C6 119.98(7) . . ?
C12 C7 C6 120.35(6) . . ?
C12 C7 C8 119.67(7) . . ?
C9 C8 C7 120.07(9) . . ?
C10 C9 C8 119.95(9) . . ?
C9 C10 C11 120.21(8) . . ?
C10 C11 C12 120.21(9) . . ?
C11 C12 C7 119.89(8) . . ?
C6 C13 C14 132.22(6) . . ?
C6 C13 N1 120.81(6) . . ?
N1 C13 C14 106.97(5) . . ?
C15 C14 C13 134.33(6) . . ?
C15 C14 C19 119.51(6) . . ?
C19 C14 C13 106.13(5) . . ?
C16 C15 C14 117.92(7) . . ?
C15 C16 C17 121.96(7) . . ?
C18 C17 C16 120.54(7) . . ?
C17 C18 C19 117.52(7) . . ?
C14 C19 C2 107.54(6) . . ?
C18 C19 C2 129.93(6) . . ?
C18 C19 C14 122.49(6) . . ?
F1 B1 N1 108.49(6) . . ?
F1 B1 N2 111.19(6) . . ?
F2 B1 F1 110.14(6) . . ?
F2 B1 N1 109.89(6) . . ?
F2 B1 N2 111.64(6) . . ?
N2 B1 N1 105.33(5) . . ?
C2 N1 C13 109.86(6) . . ?
C2 N1 B1 124.87(6) . . ?
C13 N1 B1 125.16(6) . . ?
C5 N2 B1 127.34(6) . . ?
N3 N2 C5 111.15(6) . . ?
N3 N2 B1 121.45(6) . . ?
C3 N3 N2 105.36(6) . . ?
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
C1 C2 1.4807(9) . ?
C2 C19 1.4437(10) . ?
C2 N1 1.3245(9) . ?
C3 C4 1.4037(11) . ?
C3 N3 1.3406(12) . ?
C4 C5 1.3925(10) . ?
C5 C6 1.4427(9) . ?
C5 N2 1.3616(9) . ?
C6 C7 1.4821(9) . ?
C6 C13 1.3614(9) . ?
C7 C8 1.3966(11) . ?
C7 C12 1.3944(11) . ?
C8 C9 1.3950(12) . ?
C9 C10 1.3829(18) . ?
C10 C11 1.3903(17) . ?
C11 C12 1.3906(11) . ?
C13 C14 1.4555(9) . ?
C13 N1 1.4197(8) . ?
C14 C15 1.3989(9) . ?
C14 C19 1.4065(9) . ?
C15 C16 1.3936(10) . ?
C16 C17 1.4032(11) . ?
C17 C18 1.3863(12) . ?
C18 C19 1.3954(10) . ?
B1 F1 1.3860(9) . ?
B1 F2 1.3832(9) . ?
B1 N1 1.5858(10) . ?
B1 N2 1.5310(10) . ?
N2 N3 1.3560(8) . ?
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
C1 C2 C19 C14 176.53(7) . . . . ?
C1 C2 C19 C18 -1.17(13) . . . . ?
C1 C2 N1 C13 -177.88(7) . . . . ?
C1 C2 N1 B1 -1.51(11) . . . . ?
C3 C4 C5 C6 179.02(8) . . . . ?
C3 C4 C5 N2 -0.56(8) . . . . ?
C4 C3 N3 N2 0.02(9) . . . . ?
C4 C5 C6 C7 -2.92(12) . . . . ?
C4 C5 C6 C13 176.57(7) . . . . ?
C4 C5 N2 B1 -176.62(7) . . . . ?
C4 C5 N2 N3 0.62(8) . . . . ?
C5 C6 C7 C8 -68.90(9) . . . . ?
C5 C6 C7 C12 110.57(8) . . . . ?
C5 C6 C13 C14 179.93(7) . . . . ?
C5 C6 C13 N1 -0.21(10) . . . . ?
C5 N2 N3 C3 -0.40(9) . . . . ?
C6 C5 N2 B1 3.76(11) . . . . ?
C6 C5 N2 N3 -179.01(6) . . . . ?
C6 C7 C8 C9 179.99(7) . . . . ?
C6 C7 C12 C11 -179.56(7) . . . . ?
C6 C13 C14 C15 -4.51(14) . . . . ?
C6 C13 C14 C19 177.82(7) . . . . ?
C6 C13 N1 C2 -178.94(6) . . . . ?
C6 C13 N1 B1 4.70(10) . . . . ?
C7 C6 C13 C14 -0.60(12) . . . . ?
C7 C6 C13 N1 179.27(6) . . . . ?
C7 C8 C9 C10 -0.70(13) . . . . ?
C8 C7 C12 C11 -0.08(11) . . . . ?
C8 C9 C10 C11 0.43(14) . . . . ?
C9 C10 C11 C12 0.00(14) . . . . ?
C10 C11 C12 C7 -0.18(13) . . . . ?
C12 C7 C8 C9 0.52(12) . . . . ?
C13 C6 C7 C8 111.62(8) . . . . ?
C13 C6 C7 C12 -68.91(9) . . . . ?
C13 C14 C15 C16 -179.32(8) . . . . ?
C13 C14 C19 C2 2.36(8) . . . . ?
C13 C14 C19 C18 -179.73(7) . . . . ?
C14 C13 N1 C2 0.95(8) . . . . ?
C14 C13 N1 B1 -175.40(6) . . . . ?
C14 C15 C16 C17 -0.07(12) . . . . ?
C15 C14 C19 C2 -175.73(7) . . . . ?
C15 C14 C19 C18 2.18(11) . . . . ?
C15 C16 C17 C18 1.87(13) . . . . ?
C16 C17 C18 C19 -1.60(13) . . . . ?
C17 C18 C19 C2 177.01(8) . . . . ?
C17 C18 C19 C14 -0.39(12) . . . . ?
C19 C2 N1 C13 0.53(8) . . . . ?
C19 C2 N1 B1 176.90(6) . . . . ?
C19 C14 C15 C16 -1.89(11) . . . . ?
B1 N2 N3 C3 177.02(7) . . . . ?
F1 B1 N1 C2 -61.15(9) . . . . ?
F1 B1 N1 C13 114.67(7) . . . . ?
F1 B1 N2 C5 -117.08(8) . . . . ?
F1 B1 N2 N3 65.95(9) . . . . ?
F2 B1 N1 C2 59.33(9) . . . . ?
F2 B1 N1 C13 -124.85(7) . . . . ?
F2 B1 N2 C5 119.47(8) . . . . ?
F2 B1 N2 N3 -57.50(9) . . . . ?
N1 C2 C19 C14 -1.86(8) . . . . ?
N1 C2 C19 C18 -179.57(8) . . . . ?
N1 C13 C14 C15 175.62(8) . . . . ?
N1 C13 C14 C19 -2.06(7) . . . . ?
N1 B1 N2 C5 0.25(10) . . . . ?
N1 B1 N2 N3 -176.73(6) . . . . ?
N2 C5 C6 C7 176.61(6) . . . . ?
N2 C5 C6 C13 -3.90(10) . . . . ?
N2 B1 N1 C2 179.71(7) . . . . ?
N2 B1 N1 C13 -4.47(9) . . . . ?
N3 C3 C4 C5 0.34(9) . . . . ?
