# Electronic Supplementary Material (ESI) for Materials Advances.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_19gtu079_bc_eo_79_0m
_audit_block_doi                 10.5517/ccdc.csd.cc26w6lx
_database_code_depnum_ccdc_archive 'CCDC 2051939'
_audit_update_record             
;
2021-01-14 deposited with the CCDC.	2021-11-08 downloaded from the CCDC.
;
_audit_creation_date             2021-01-13
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C19 H21 B F2 N3, I'
_chemical_formula_sum            'C19 H21 B F2 I N3'
_chemical_formula_weight         467.10
_chemical_melting_point          ?
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'
I I -0.4742 1.8119 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.653(3)
_cell_length_b                   13.4230(18)
_cell_length_c                   13.1667(13)
_cell_angle_alpha                90
_cell_angle_beta                 91.719(14)
_cell_angle_gamma                90
_cell_volume                     1881.9(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9978
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      27.25
_cell_measurement_theta_min      2.42
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.728
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5323
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/5 (Bruker AXS)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            pink
_exptl_crystal_colour_primary    pink
_exptl_crystal_density_diffrn    1.649
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             928
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1.00 -3.00 -1.00 0.0400
0.00 0.00 -1.00 0.0590
0.00 -1.00 1.00 0.0550
0.00 3.00 1.00 0.0930
0.00 -3.00 1.00 0.0490
0.00 -1.00 -1.00 0.0360
0.00 3.00 -1.00 0.0750
1.00 -3.00 2.00 0.0460
0.00 1.00 2.00 0.0750
1.00 -2.00 3.00 0.0520
1.00 -1.00 3.00 0.0520
2.00 -3.00 -1.00 0.0340
1.00 0.00 3.00 0.0480
-2.00 3.00 1.00 0.0830
-1.00 1.00 -1.00 0.0600
-1.00 0.00 -3.00 0.0470
1.00 0.00 1.00 0.0560
-2.00 1.00 2.00 0.0750
-3.00 1.00 0.00 0.0590
-2.00 0.00 -1.00 0.0290
2.00 1.00 -1.00 0.0920
2.00 2.00 3.00 0.0520
-1.00 -1.00 -1.00 0.0290

_exptl_crystal_size_max          0.179
_exptl_crystal_size_mid          0.146
_exptl_crystal_size_min          0.097
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0520
_diffrn_reflns_av_unetI/netI     0.0326
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            26346
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_min         2.424
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  
'Bruker APEX II QUAZAR three-circle diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3328
_reflns_number_total             4296
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.222
_refine_diff_density_min         -0.555
_refine_diff_density_rms         0.080
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     240
_refine_ls_number_reflns         4296
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0479
_refine_ls_R_factor_gt           0.0321
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0410P)²+1.0504P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0773
_refine_ls_wR_factor_ref         0.0860
_refine_special_details          ?
_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) groups
2.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C15(H15), C14(H14), C3(H3), C5(H5), C2(H2)
2.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C18(H18A,H18B,H18C), C13(H13A,H13B,H13C), C19(H19A,H19B,
 H19C), C12(H12A,H12B,H12C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
F2 F 0.17049(18) 0.33326(14) 0.50376(13) 0.0531(5) Uani 1 1 d . . . . .
F1 F 0.10491(15) 0.37049(13) 0.66135(16) 0.0509(5) Uani 1 1 d . . . . .
N1 N 0.30034(18) 0.44063(16) 0.60797(16) 0.0289(4) Uani 1 1 d . . . . .
N2 N 0.28136(18) 0.26044(16) 0.64614(16) 0.0286(4) Uani 1 1 d . . . . .
N3 N 0.8279(2) 0.36371(16) 0.83634(19) 0.0349(5) Uani 1 1 d . . . . .
C1 C 0.9516(3) 0.3724(3) 0.8911(3) 0.0575(9) Uani 1 1 d . . . . .
H1A H 0.952893 0.329721 0.949579 0.086 Uiso 1 1 calc R U . . .
H1B H 0.964540 0.440164 0.912306 0.086 Uiso 1 1 calc R U . . .
H1C H 1.017095 0.353028 0.846659 0.086 Uiso 1 1 calc R U . . .
C18 C 0.1515(2) 0.5646(2) 0.5311(2) 0.0428(7) Uani 1 1 d . . . . .
H18A H 0.140879 0.537009 0.464082 0.064 Uiso 1 1 calc R U . . .
H18B H 0.147480 0.635911 0.527342 0.064 Uiso 1 1 calc R U . . .
H18C H 0.085919 0.540505 0.573147 0.064 Uiso 1 1 calc R U . . .
C6 C 0.5993(2) 0.35160(18) 0.73734(19) 0.0271(5) Uani 1 1 d . . . . .
C7 C 0.4731(2) 0.34891(19) 0.68563(19) 0.0279(5) Uani 1 1 d . . . . .
C9 C 0.4239(2) 0.43804(19) 0.64654(19) 0.0284(5) Uani 1 1 d . . . . .
C8 C 0.4059(2) 0.26026(19) 0.68353(19) 0.0282(5) Uani 1 1 d . . . . .
C17 C 0.2361(2) 0.1675(2) 0.6555(2) 0.0322(6) Uani 1 1 d . . . . .
C10 C 0.4764(2) 0.5348(2) 0.6352(2) 0.0312(5) Uani 1 1 d . . . . .
C11 C 0.4366(2) 0.1612(2) 0.7147(2) 0.0312(5) Uani 1 1 d . . . . .
C16 C 0.2756(2) 0.5339(2) 0.5755(2) 0.0321(6) Uani 1 1 d . . . . .
C4 C 0.7080(2) 0.3269(2) 0.6882(2) 0.0338(6) Uani 1 1 d . . . . .
H4 H 0.704069 0.305493 0.620993 0.041 Uiso 1 1 calc R U . . .
C15 C 0.3300(3) 0.1048(2) 0.6959(2) 0.0364(6) Uani 1 1 d . . . . .
H15 H 0.321977 0.036909 0.708013 0.044 Uiso 1 1 calc R U . . .
C14 C 0.3821(2) 0.5925(2) 0.5912(2) 0.0356(6) Uani 1 1 d . . . . .
H14 H 0.388732 0.659640 0.574816 0.043 Uiso 1 1 calc R U . . .
C3 C 0.8214(2) 0.3341(2) 0.7393(2) 0.0380(6) Uani 1 1 d . . . . .
H3 H 0.894700 0.318268 0.706258 0.046 Uiso 1 1 calc R U . . .
C5 C 0.6080(2) 0.3805(2) 0.8384(2) 0.0356(6) Uani 1 1 d . . . . .
H5 H 0.535981 0.395912 0.873388 0.043 Uiso 1 1 calc R U . . .
C2 C 0.7236(3) 0.3862(2) 0.8859(2) 0.0393(6) Uani 1 1 d . . . . .
H2 H 0.729941 0.405997 0.953565 0.047 Uiso 1 1 calc R U . . .
C13 C 0.6064(2) 0.5705(2) 0.6613(2) 0.0397(7) Uani 1 1 d . . . . .
H13A H 0.620539 0.568003 0.733596 0.059 Uiso 1 1 calc R U . . .
H13B H 0.615753 0.637881 0.638158 0.059 Uiso 1 1 calc R U . . .
H13C H 0.666319 0.528681 0.628885 0.059 Uiso 1 1 calc R U . . .
C19 C 0.1040(3) 0.1410(2) 0.6291(3) 0.0418(7) Uani 1 1 d . . . . .
H19A H 0.052965 0.152086 0.686904 0.063 Uiso 1 1 calc R U . . .
H19B H 0.099493 0.072027 0.609938 0.063 Uiso 1 1 calc R U . . .
H19C H 0.074090 0.181562 0.573481 0.063 Uiso 1 1 calc R U . . .
C12 C 0.5587(3) 0.1215(2) 0.7570(3) 0.0419(7) Uani 1 1 d . . . . .
H12A H 0.621494 0.126231 0.706373 0.063 Uiso 1 1 calc R U . . .
H12B H 0.548448 0.052986 0.776088 0.063 Uiso 1 1 calc R U . . .
H12C H 0.584578 0.159682 0.815577 0.063 Uiso 1 1 calc R U . . .
B1 B 0.2094(3) 0.3513(2) 0.6038(2) 0.0325(6) Uani 1 1 d . . . . .
I I 1.27463(2) 0.37145(2) 0.98800(2) 0.04953(10) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
F2 B1 1.390(4) . ?
F1 B1 1.389(4) . ?
N1 C9 1.397(3) . ?
N1 C16 1.346(3) . ?
N1 B1 1.542(4) . ?
N2 C8 1.401(3) . ?
N2 C17 1.344(3) . ?
N2 B1 1.536(4) . ?
N3 C1 1.487(3) . ?
N3 C3 1.338(4) . ?
N3 C2 1.340(4) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C18 C16 1.488(4) . ?
C6 C7 1.489(3) . ?
C6 C4 1.384(3) . ?
C6 C5 1.386(4) . ?
C7 C9 1.398(4) . ?
C7 C8 1.389(3) . ?
C9 C10 1.423(3) . ?
C8 C11 1.427(4) . ?
C17 C15 1.400(4) . ?
C17 C19 1.483(4) . ?
C10 C14 1.382(4) . ?
C10 C13 1.496(3) . ?
C11 C15 1.380(4) . ?
C11 C12 1.498(4) . ?
C16 C14 1.391(4) . ?
C4 H4 0.9300 . ?
C4 C3 1.368(4) . ?
C15 H15 0.9300 . ?
C14 H14 0.9300 . ?
C3 H3 0.9300 . ?
C5 H5 0.9300 . ?
C5 C2 1.367(4) . ?
C2 H2 0.9300 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?

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
C9 N1 B1 125.3(2) . . ?
C16 N1 C9 108.2(2) . . ?
C16 N1 B1 126.5(2) . . ?
C8 N2 B1 125.9(2) . . ?
C17 N2 C8 107.7(2) . . ?
C17 N2 B1 126.4(2) . . ?
C3 N3 C1 120.4(3) . . ?
C3 N3 C2 120.8(2) . . ?
C2 N3 C1 118.8(3) . . ?
N3 C1 H1A 109.5 . . ?
N3 C1 H1B 109.5 . . ?
N3 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
C4 C6 C7 122.5(2) . . ?
C4 C6 C5 118.9(2) . . ?
C5 C6 C7 118.6(2) . . ?
C9 C7 C6 118.1(2) . . ?
C8 C7 C6 119.2(2) . . ?
C8 C7 C9 122.6(2) . . ?
N1 C9 C7 119.6(2) . . ?
N1 C9 C10 107.9(2) . . ?
C7 C9 C10 132.5(2) . . ?
N2 C8 C11 108.0(2) . . ?
C7 C8 N2 119.2(2) . . ?
C7 C8 C11 132.8(2) . . ?
N2 C17 C15 109.8(2) . . ?
N2 C17 C19 122.8(2) . . ?
C15 C17 C19 127.4(3) . . ?
C9 C10 C13 129.2(2) . . ?
C14 C10 C9 105.8(2) . . ?
C14 C10 C13 124.9(3) . . ?
C8 C11 C12 128.9(2) . . ?
C15 C11 C8 106.2(2) . . ?
C15 C11 C12 124.9(3) . . ?
N1 C16 C18 123.0(2) . . ?
N1 C16 C14 109.1(2) . . ?
C14 C16 C18 127.8(3) . . ?
C6 C4 H4 120.3 . . ?
C3 C4 C6 119.5(3) . . ?
C3 C4 H4 120.3 . . ?
C17 C15 H15 125.9 . . ?
C11 C15 C17 108.3(2) . . ?
C11 C15 H15 125.9 . . ?
C10 C14 C16 108.9(2) . . ?
C10 C14 H14 125.5 . . ?
C16 C14 H14 125.5 . . ?
N3 C3 C4 120.7(2) . . ?
N3 C3 H3 119.7 . . ?
C4 C3 H3 119.7 . . ?
C6 C5 H5 120.4 . . ?
C2 C5 C6 119.2(2) . . ?
C2 C5 H5 120.4 . . ?
N3 C2 C5 120.9(3) . . ?
N3 C2 H2 119.6 . . ?
C5 C2 H2 119.6 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
F2 B1 N1 109.8(2) . . ?
F2 B1 N2 109.7(2) . . ?
F1 B1 F2 109.2(2) . . ?
F1 B1 N1 110.4(2) . . ?
F1 B1 N2 110.4(2) . . ?
N2 B1 N1 107.4(2) . . ?

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
N1 C9 C10 C14 0.7(3) . . . . ?
N1 C9 C10 C13 -177.9(3) . . . . ?
N1 C16 C14 C10 -0.3(3) . . . . ?
N2 C8 C11 C15 -0.4(3) . . . . ?
N2 C8 C11 C12 178.1(3) . . . . ?
N2 C17 C15 C11 1.5(3) . . . . ?
C1 N3 C3 C4 -179.3(3) . . . . ?
C1 N3 C2 C5 179.2(3) . . . . ?
C18 C16 C14 C10 179.4(3) . . . . ?
C6 C7 C9 N1 -172.7(2) . . . . ?
C6 C7 C9 C10 8.2(4) . . . . ?
C6 C7 C8 N2 172.2(2) . . . . ?
C6 C7 C8 C11 -6.6(4) . . . . ?
C6 C4 C3 N3 0.7(4) . . . . ?
C6 C5 C2 N3 -0.4(4) . . . . ?
C7 C6 C4 C3 177.9(3) . . . . ?
C7 C6 C5 C2 -178.1(3) . . . . ?
C7 C9 C10 C14 179.8(3) . . . . ?
C7 C9 C10 C13 1.2(5) . . . . ?
C7 C8 C11 C15 178.5(3) . . . . ?
C7 C8 C11 C12 -3.0(5) . . . . ?
C9 N1 C16 C18 -179.0(2) . . . . ?
C9 N1 C16 C14 0.7(3) . . . . ?
C9 N1 B1 F2 -121.0(3) . . . . ?
C9 N1 B1 F1 118.6(3) . . . . ?
C9 N1 B1 N2 -1.8(3) . . . . ?
C9 C7 C8 N2 -3.7(4) . . . . ?
C9 C7 C8 C11 177.5(3) . . . . ?
C9 C10 C14 C16 -0.3(3) . . . . ?
C8 N2 C17 C15 -1.7(3) . . . . ?
C8 N2 C17 C19 176.3(3) . . . . ?
C8 N2 B1 F2 120.5(3) . . . . ?
C8 N2 B1 F1 -119.2(3) . . . . ?
C8 N2 B1 N1 1.3(3) . . . . ?
C8 C7 C9 N1 3.2(4) . . . . ?
C8 C7 C9 C10 -175.9(3) . . . . ?
C8 C11 C15 C17 -0.6(3) . . . . ?
C17 N2 C8 C7 -177.8(2) . . . . ?
C17 N2 C8 C11 1.3(3) . . . . ?
C17 N2 B1 F2 -60.6(3) . . . . ?
C17 N2 B1 F1 59.7(3) . . . . ?
C17 N2 B1 N1 -179.8(2) . . . . ?
C16 N1 C9 C7 179.9(2) . . . . ?
C16 N1 C9 C10 -0.9(3) . . . . ?
C16 N1 B1 F2 59.0(3) . . . . ?
C16 N1 B1 F1 -61.4(3) . . . . ?
C16 N1 B1 N2 178.1(2) . . . . ?
C4 C6 C7 C9 -97.0(3) . . . . ?
C4 C6 C7 C8 87.0(3) . . . . ?
C4 C6 C5 C2 1.6(4) . . . . ?
C3 N3 C2 C5 -0.7(4) . . . . ?
C5 C6 C7 C9 82.7(3) . . . . ?
C5 C6 C7 C8 -93.4(3) . . . . ?
C5 C6 C4 C3 -1.8(4) . . . . ?
C2 N3 C3 C4 0.5(4) . . . . ?
C13 C10 C14 C16 178.4(3) . . . . ?
C19 C17 C15 C11 -176.4(3) . . . . ?
C12 C11 C15 C17 -179.2(3) . . . . ?
B1 N1 C9 C7 -0.2(4) . . . . ?
B1 N1 C9 C10 179.1(2) . . . . ?
B1 N1 C16 C18 1.0(4) . . . . ?
B1 N1 C16 C14 -179.3(2) . . . . ?
B1 N2 C8 C7 1.3(4) . . . . ?
B1 N2 C8 C11 -179.7(2) . . . . ?
B1 N2 C17 C15 179.2(2) . . . . ?
B1 N2 C17 C19 -2.8(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
