# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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. 
# 
#######################################################################

data_150511_ygc_532
_database_code_depnum_ccdc_archive 'CCDC 1428967'
_audit_update_record             
;
2015-10-01 deposited with the CCDC.
2015-10-29 downloaded from the CCDC.
;
_audit_creation_date             2015-05-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.03.20 svn.r2914 for OlexSys, GUI svn.r4816)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C24 H21 B F2 N4'
_chemical_formula_sum            'C24 H21 B F2 N4'
_chemical_formula_weight         414.26
_chemical_melting_point          ?
_chemical_oxdiff_formula         'c10 h10 n2 b1 f1'
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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   8.4892(7)
_cell_length_b                   8.7454(7)
_cell_length_c                   14.2585(11)
_cell_angle_alpha                83.179(7)
_cell_angle_beta                 79.851(7)
_cell_angle_gamma                84.564(7)
_cell_volume                     1031.68(14)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    1698
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.3532
_cell_measurement_theta_min      3.2560
_exptl_absorpt_coefficient_mu    0.092
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.92355
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             432
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.3
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0292
_diffrn_reflns_av_unetI/netI     0.0461
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6450
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.26
_diffrn_ambient_temperature      293.15
_diffrn_detector_area_resol_mean 10.3592
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0047089000
_diffrn_orient_matrix_UB_12      0.0762583000
_diffrn_orient_matrix_UB_13      -0.0231033000
_diffrn_orient_matrix_UB_21      0.0737852000
_diffrn_orient_matrix_UB_22      -0.0229662000
_diffrn_orient_matrix_UB_23      -0.0284377000
_diffrn_orient_matrix_UB_31      -0.0421868000
_diffrn_orient_matrix_UB_32      -0.0191752000
_diffrn_orient_matrix_UB_33      -0.0352063000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                2533
_reflns_number_total             3780
_reflns_odcompleteness_completeness 99.53
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.153
_refine_diff_density_min         -0.205
_refine_diff_density_rms         0.045
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     282
_refine_ls_number_reflns         3780
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0773
_refine_ls_R_factor_gt           0.0491
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0617P)²+0.0158P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1119
_refine_ls_wR_factor_ref         0.1357
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_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:
 C1(H1), C2(H2), C3(H3), C4(H4), C8(H8), C9(H9), C12(H12), C13(H13), C15(H15),
 C16(H16), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24)
2.b Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
F1 F 0.37000(15) 0.74167(14) 0.43444(7) 0.0657(4) Uani 1 d . . .
F2 F 0.50287(14) 0.63413(13) 0.30368(9) 0.0708(4) Uani 1 d . . .
N1 N 0.21311(18) 0.64450(17) 0.33249(10) 0.0413(4) Uani 1 d . . .
N2 N 0.12225(19) 0.85679(18) 0.22840(11) 0.0474(4) Uani 1 d . . .
N3 N 0.36476(18) 0.88159(17) 0.28002(10) 0.0413(4) Uani 1 d . . .
N4 N 0.2589(3) 1.5086(2) -0.00386(13) 0.0775(7) Uani 1 d . . .
C1 C 0.2960(3) 0.4214(2) 0.43791(13) 0.0510(5) Uani 1 d . . .
H1 H 0.3923 0.4636 0.4383 0.061 Uiso 1 calc . . R
C2 C 0.2639(3) 0.2828(2) 0.48996(14) 0.0569(6) Uani 1 d . . .
H2 H 0.3382 0.2329 0.5262 0.068 Uiso 1 calc . . R
C3 C 0.1225(3) 0.2156(2) 0.48955(15) 0.0593(6) Uani 1 d . . .
H3 H 0.1023 0.1212 0.5251 0.071 Uiso 1 calc . . R
C4 C 0.0136(3) 0.2891(2) 0.43675(14) 0.0580(6) Uani 1 d . . .
H4 H -0.0811 0.2440 0.4364 0.070 Uiso 1 calc . . R
C5 C 0.0421(2) 0.4321(2) 0.38270(13) 0.0467(5) Uani 1 d . . .
C6 C 0.1848(2) 0.5002(2) 0.38398(12) 0.0425(5) Uani 1 d . . .
C7 C 0.1052(2) 0.7177(2) 0.27962(12) 0.0433(5) Uani 1 d . . .
C8 C -0.0390(3) 0.6485(2) 0.27755(14) 0.0545(5) Uani 1 d . . .
H8 H -0.1128 0.6987 0.2411 0.065 Uiso 1 calc . . R
C9 C -0.0698(3) 0.5119(2) 0.32750(14) 0.0564(6) Uani 1 d . . .
H9 H -0.1653 0.4689 0.3260 0.068 Uiso 1 calc . . R
C10 C 0.2485(2) 0.9354(2) 0.22984(12) 0.0417(5) Uani 1 d . . .
C11 C 0.2508(2) 1.0870(2) 0.17210(12) 0.0434(5) Uani 1 d . . .
C12 C 0.2012(3) 1.1025(2) 0.08319(13) 0.0521(5) Uani 1 d . . .
H12 H 0.1664 1.0170 0.0620 0.063 Uiso 1 calc . . R
C13 C 0.2021(3) 1.2405(2) 0.02572(14) 0.0573(6) Uani 1 d . . .
H13 H 0.1696 1.2458 -0.0336 0.069 Uiso 1 calc . . R
C14 C 0.2510(3) 1.3727(2) 0.05487(13) 0.0536(6) Uani 1 d . . .
C15 C 0.2935(3) 1.3593(2) 0.14645(13) 0.0546(6) Uani 1 d . . .
H15 H 0.3213 1.4462 0.1698 0.065 Uiso 1 calc . . R
C16 C 0.2945(3) 1.2198(2) 0.20217(13) 0.0502(5) Uani 1 d . . .
H16 H 0.3255 1.2143 0.2620 0.060 Uiso 1 calc . . R
C17 C 0.3020(4) 1.6475(3) 0.02714(17) 0.0856(8) Uani 1 d . . .
H17A H 0.2172 1.6844 0.0749 0.128 Uiso 1 calc . . GR
H17B H 0.3185 1.7249 -0.0266 0.128 Uiso 1 calc . . GR
H17C H 0.3990 1.6259 0.0537 0.128 Uiso 1 calc . . GR
C18 C 0.2206(4) 1.5184(3) -0.10007(16) 0.0928(10) Uani 1 d . . .
H18A H 0.2890 1.4439 -0.1356 0.139 Uiso 1 calc . . GR
H18B H 0.2371 1.6202 -0.1317 0.139 Uiso 1 calc . . GR
H18C H 0.1105 1.4976 -0.0963 0.139 Uiso 1 calc . . GR
C19 C 0.5088(2) 0.9608(2) 0.27280(12) 0.0414(5) Uani 1 d . . .
C20 C 0.5380(2) 1.0257(2) 0.35041(13) 0.0501(5) Uani 1 d . . .
H20 H 0.4636 1.0213 0.4068 0.060 Uiso 1 calc . . R
C21 C 0.6781(3) 1.0976(3) 0.34475(16) 0.0620(6) Uani 1 d . . .
H21 H 0.6970 1.1431 0.3970 0.074 Uiso 1 calc . . R
C22 C 0.7893(3) 1.1020(3) 0.26225(17) 0.0639(6) Uani 1 d . . .
H22 H 0.8840 1.1493 0.2588 0.077 Uiso 1 calc . . R
C23 C 0.7604(3) 1.0364(3) 0.18491(16) 0.0599(6) Uani 1 d . . .
H23 H 0.8357 1.0398 0.1289 0.072 Uiso 1 calc . . R
C24 C 0.6203(2) 0.9654(2) 0.18928(14) 0.0504(5) Uani 1 d . . .
H24 H 0.6011 0.9212 0.1366 0.060 Uiso 1 calc . . R
B1 B 0.3671(3) 0.7237(3) 0.33953(15) 0.0441(5) Uani 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
F1 B1 1.385(2) . ?
F2 B1 1.386(2) . ?
N1 C6 1.401(2) . ?
N1 C7 1.355(2) . ?
N1 B1 1.560(3) . ?
N2 C7 1.349(2) . ?
N2 C10 1.331(2) . ?
N3 C10 1.337(2) . ?
N3 C19 1.444(2) . ?
N3 B1 1.533(3) . ?
N4 C14 1.371(3) . ?
N4 C17 1.440(3) . ?
N4 C18 1.455(3) . ?
C1 H1 0.9300 . ?
C1 C2 1.368(3) . ?
C1 C6 1.401(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.387(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.361(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.407(3) . ?
C5 C6 1.404(3) . ?
C5 C9 1.419(3) . ?
C7 C8 1.422(3) . ?
C8 H8 0.9300 . ?
C8 C9 1.339(3) . ?
C9 H9 0.9300 . ?
C10 C11 1.475(3) . ?
C11 C12 1.392(2) . ?
C11 C16 1.388(3) . ?
C12 H12 0.9300 . ?
C12 C13 1.375(3) . ?
C13 H13 0.9300 . ?
C13 C14 1.395(3) . ?
C14 C15 1.404(3) . ?
C15 H15 0.9300 . ?
C15 C16 1.375(3) . ?
C16 H16 0.9300 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C20 1.371(2) . ?
C19 C24 1.384(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.384(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.371(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.370(3) . ?
C23 H23 0.9300 . ?
C23 C24 1.381(3) . ?
C24 H24 0.9300 . ?

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
C6 N1 B1 119.48(14) . . ?
C7 N1 C6 120.51(16) . . ?
C7 N1 B1 119.96(16) . . ?
C10 N2 C7 120.66(15) . . ?
C10 N3 C19 121.83(16) . . ?
C10 N3 B1 123.52(16) . . ?
C19 N3 B1 114.25(14) . . ?
C14 N4 C17 121.80(18) . . ?
C14 N4 C18 120.84(19) . . ?
C17 N4 C18 117.3(2) . . ?
C2 C1 H1 119.7 . . ?
C2 C1 C6 120.6(2) . . ?
C6 C1 H1 119.7 . . ?
C1 C2 H2 119.5 . . ?
C1 C2 C3 121.09(19) . . ?
C3 C2 H2 119.5 . . ?
C2 C3 H3 120.3 . . ?
C4 C3 C2 119.4(2) . . ?
C4 C3 H3 120.3 . . ?
C3 C4 H4 119.5 . . ?
C3 C4 C5 121.1(2) . . ?
C5 C4 H4 119.5 . . ?
C4 C5 C9 122.32(19) . . ?
C6 C5 C4 119.24(17) . . ?
C6 C5 C9 118.43(18) . . ?
N1 C6 C5 119.94(16) . . ?
C1 C6 N1 121.48(18) . . ?
C1 C6 C5 118.58(18) . . ?
N1 C7 C8 119.69(18) . . ?
N2 C7 N1 124.45(17) . . ?
N2 C7 C8 115.85(16) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 C7 120.82(18) . . ?
C9 C8 H8 119.6 . . ?
C5 C9 H9 119.7 . . ?
C8 C9 C5 120.59(19) . . ?
C8 C9 H9 119.7 . . ?
N2 C10 N3 122.69(17) . . ?
N2 C10 C11 115.06(15) . . ?
N3 C10 C11 122.25(17) . . ?
C12 C11 C10 119.35(16) . . ?
C16 C11 C10 123.98(15) . . ?
C16 C11 C12 116.63(17) . . ?
C11 C12 H12 119.0 . . ?
C13 C12 C11 122.01(18) . . ?
C13 C12 H12 119.0 . . ?
C12 C13 H13 119.4 . . ?
C12 C13 C14 121.17(17) . . ?
C14 C13 H13 119.4 . . ?
N4 C14 C13 121.36(17) . . ?
N4 C14 C15 121.68(19) . . ?
C13 C14 C15 116.96(18) . . ?
C14 C15 H15 119.5 . . ?
C16 C15 C14 120.98(18) . . ?
C16 C15 H15 119.5 . . ?
C11 C16 H16 118.9 . . ?
C15 C16 C11 122.14(16) . . ?
C15 C16 H16 118.9 . . ?
N4 C17 H17A 109.5 . . ?
N4 C17 H17B 109.5 . . ?
N4 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N4 C18 H18A 109.5 . . ?
N4 C18 H18B 109.5 . . ?
N4 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 N3 119.74(17) . . ?
C20 C19 C24 120.08(19) . . ?
C24 C19 N3 120.12(16) . . ?
C19 C20 H20 120.0 . . ?
C19 C20 C21 119.9(2) . . ?
C21 C20 H20 120.0 . . ?
C20 C21 H21 119.9 . . ?
C22 C21 C20 120.2(2) . . ?
C22 C21 H21 119.9 . . ?
C21 C22 H22 120.1 . . ?
C23 C22 C21 119.8(2) . . ?
C23 C22 H22 120.1 . . ?
C22 C23 H23 119.7 . . ?
C22 C23 C24 120.6(2) . . ?
C24 C23 H23 119.7 . . ?
C19 C24 H24 120.3 . . ?
C23 C24 C19 119.36(18) . . ?
C23 C24 H24 120.3 . . ?
F1 B1 F2 109.28(16) . . ?
F1 B1 N1 109.55(16) . . ?
F1 B1 N3 110.15(16) . . ?
F2 B1 N1 110.08(16) . . ?
F2 B1 N3 109.08(16) . . ?
N3 B1 N1 108.68(15) . . ?

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 C7 C8 C9 0.2(3) . . . . ?
N2 C7 C8 C9 -178.60(17) . . . . ?
N2 C10 C11 C12 -39.7(2) . . . . ?
N2 C10 C11 C16 137.89(19) . . . . ?
N3 C10 C11 C12 140.47(19) . . . . ?
N3 C10 C11 C16 -41.9(3) . . . . ?
N3 C19 C20 C21 178.04(17) . . . . ?
N3 C19 C24 C23 -177.46(17) . . . . ?
N4 C14 C15 C16 -176.0(2) . . . . ?
C1 C2 C3 C4 -0.2(3) . . . . ?
C2 C1 C6 N1 178.03(16) . . . . ?
C2 C1 C6 C5 -1.6(3) . . . . ?
C2 C3 C4 C5 -0.1(3) . . . . ?
C3 C4 C5 C6 -0.4(3) . . . . ?
C3 C4 C5 C9 -179.57(19) . . . . ?
C4 C5 C6 N1 -178.38(15) . . . . ?
C4 C5 C6 C1 1.2(3) . . . . ?
C4 C5 C9 C8 179.47(18) . . . . ?
C6 N1 C7 N2 179.62(15) . . . . ?
C6 N1 C7 C8 0.9(3) . . . . ?
C6 N1 B1 F1 -57.3(2) . . . . ?
C6 N1 B1 F2 62.9(2) . . . . ?
C6 N1 B1 N3 -177.73(13) . . . . ?
C6 C1 C2 C3 1.1(3) . . . . ?
C6 C5 C9 C8 0.3(3) . . . . ?
C7 N1 C6 C1 178.98(16) . . . . ?
C7 N1 C6 C5 -1.4(2) . . . . ?
C7 N1 B1 F1 120.33(17) . . . . ?
C7 N1 B1 F2 -119.48(18) . . . . ?
C7 N1 B1 N3 -0.1(2) . . . . ?
C7 N2 C10 N3 0.9(3) . . . . ?
C7 N2 C10 C11 -178.92(14) . . . . ?
C7 C8 C9 C5 -0.8(3) . . . . ?
C9 C5 C6 N1 0.8(3) . . . . ?
C9 C5 C6 C1 -179.60(17) . . . . ?
C10 N2 C7 N1 -2.5(3) . . . . ?
C10 N2 C7 C8 176.21(16) . . . . ?
C10 N3 C19 C20 113.60(19) . . . . ?
C10 N3 C19 C24 -69.2(2) . . . . ?
C10 N3 B1 F1 -121.41(18) . . . . ?
C10 N3 B1 F2 118.64(19) . . . . ?
C10 N3 B1 N1 -1.4(2) . . . . ?
C10 C11 C12 C13 -179.36(18) . . . . ?
C10 C11 C16 C15 -179.35(18) . . . . ?
C11 C12 C13 C14 -1.0(3) . . . . ?
C12 C11 C16 C15 -1.7(3) . . . . ?
C12 C13 C14 N4 177.1(2) . . . . ?
C12 C13 C14 C15 -2.2(3) . . . . ?
C13 C14 C15 C16 3.3(3) . . . . ?
C14 C15 C16 C11 -1.4(3) . . . . ?
C16 C11 C12 C13 2.9(3) . . . . ?
C17 N4 C14 C13 177.1(2) . . . . ?
C17 N4 C14 C15 -3.7(4) . . . . ?
C18 N4 C14 C13 -1.8(4) . . . . ?
C18 N4 C14 C15 177.5(2) . . . . ?
C19 N3 C10 N2 173.37(15) . . . . ?
C19 N3 C10 C11 -6.8(2) . . . . ?
C19 N3 B1 F1 65.8(2) . . . . ?
C19 N3 B1 F2 -54.18(19) . . . . ?
C19 N3 B1 N1 -174.22(14) . . . . ?
C19 C20 C21 C22 -1.1(3) . . . . ?
C20 C19 C24 C23 -0.3(3) . . . . ?
C20 C21 C22 C23 0.8(3) . . . . ?
C21 C22 C23 C24 -0.2(3) . . . . ?
C22 C23 C24 C19 0.0(3) . . . . ?
C24 C19 C20 C21 0.8(3) . . . . ?
B1 N1 C6 C1 -3.4(2) . . . . ?
B1 N1 C6 C5 176.21(15) . . . . ?
B1 N1 C7 N2 2.0(3) . . . . ?
B1 N1 C7 C8 -176.70(16) . . . . ?
B1 N3 C10 N2 1.1(3) . . . . ?
B1 N3 C10 C11 -179.10(15) . . . . ?
B1 N3 C19 C20 -73.4(2) . . . . ?
B1 N3 C19 C24 103.75(18) . . . . ?

