# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# 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_11
_database_code_depnum_ccdc_archive 'CCDC 1426952'
_audit_update_record             
;
2015-09-24 deposited with the CCDC.
2015-11-22 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H23 B F2 N4'
_chemical_formula_weight         440.29
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'
_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.
;

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                   14.339(6)
_cell_length_b                   9.360(3)
_cell_length_c                   17.092(7)
_cell_angle_alpha                90
_cell_angle_beta                 108.095(15)
_cell_angle_gamma                90
_cell_volume                     2180.5(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    110
_cell_measurement_reflns_used    9102
_cell_measurement_theta_min      2.51
_cell_measurement_theta_max      30.25
_exptl_crystal_description       Plate
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.341
_exptl_crystal_F_000             920
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.363
_exptl_crystal_size_mid          0.207
_exptl_crystal_size_min          0.118
_exptl_absorpt_coefficient_mu    0.092
_shelx_estimated_absorpt_T_min   0.967
_shelx_estimated_absorpt_T_max   0.989
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6895
_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      110
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker Kappa Axis Apex2'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            124130
_diffrn_reflns_av_unetI/netI     0.0375
_diffrn_reflns_av_R_equivalents  0.0511
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         3.116
_diffrn_reflns_theta_max         32.111
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             7495
_reflns_number_gt                5189
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_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.
;

_computing_data_collection       Apex2
_computing_cell_refinement       SAINT
_computing_data_reduction        SAINT
_computing_structure_solution    SHELXT
_computing_structure_refinement  SHELXL-2014
_computing_molecular_graphics    NRCVAX
_computing_publication_material  cif2tables.py
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0553P)²+1.9740P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7495
_refine_ls_number_parameters     382
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0985
_refine_ls_R_factor_gt           0.0622
_refine_ls_wR_factor_ref         0.1621
_refine_ls_wR_factor_gt          0.1425
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
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 0.04543(9) 0.66916(11) 0.42330(7) 0.0367(3) Uani 1 1 d . . . . .
F2 F -0.08467(7) 0.54671(12) 0.33783(8) 0.0381(3) Uani 1 1 d . . . . .
B1 B 0.00972(13) 0.58912(19) 0.35243(12) 0.0227(3) Uani 1 1 d . . . . .
N1 N 0.02387(9) 0.67387(13) 0.27885(8) 0.0186(2) Uani 1 1 d . . . . .
N2 N 0.11364(9) 0.69863(13) 0.27726(8) 0.0190(3) Uani 1 1 d . . . . .
N3 N 0.08052(9) 0.46058(13) 0.35706(8) 0.0167(2) Uani 1 1 d . . . . .
N4 N 0.16889(9) 0.48643(13) 0.35395(8) 0.0187(2) Uani 1 1 d . . . . .
C1 C 0.18456(10) 0.61632(15) 0.32611(9) 0.0180(3) Uani 1 1 d . . . . .
C2 C -0.05303(11) 0.72643(16) 0.20990(10) 0.0225(3) Uani 1 1 d . . . . .
C3 C -0.14004(13) 0.77314(18) 0.22167(13) 0.0297(4) Uani 1 1 d . . . . .
H3 H -0.1466(16) 0.772(2) 0.2763(14) 0.032(6) Uiso 1 1 d . . . . .
C4 C -0.21576(14) 0.8211(2) 0.15443(15) 0.0403(5) Uani 1 1 d . . . . .
H4 H -0.276(2) 0.859(3) 0.1614(17) 0.059(8) Uiso 1 1 d . . . . .
C5 C -0.20496(16) 0.8216(2) 0.07684(15) 0.0457(6) Uani 1 1 d . . . . .
H5 H -0.2573(19) 0.852(3) 0.0314(16) 0.049(7) Uiso 1 1 d . . . . .
C6 C -0.11775(18) 0.7778(2) 0.06607(13) 0.0421(5) Uani 1 1 d . . . . .
H6 H -0.1064(18) 0.782(3) 0.0157(17) 0.046(7) Uiso 1 1 d . . . . .
C7 C -0.04055(14) 0.73024(18) 0.13271(11) 0.0290(4) Uani 1 1 d . . . . .
H7 H 0.0204(16) 0.704(2) 0.1266(13) 0.030(5) Uiso 1 1 d . . . . .
C8 C 0.05713(11) 0.31414(15) 0.36533(9) 0.0177(3) Uani 1 1 d . . . . .
C9 C -0.00883(11) 0.28155(16) 0.40743(10) 0.0205(3) Uani 1 1 d . . . . .
H9 H -0.0362(15) 0.356(2) 0.4322(13) 0.031(5) Uiso 1 1 d . . . . .
C10 C -0.03415(12) 0.13991(18) 0.41430(11) 0.0252(3) Uani 1 1 d . . . . .
H10 H -0.0788(15) 0.118(2) 0.4458(13) 0.030(5) Uiso 1 1 d . . . . .
C11 C 0.00682(13) 0.03217(18) 0.37992(12) 0.0294(4) Uani 1 1 d . . . . .
H11 H -0.0101(15) -0.068(2) 0.3866(13) 0.033(5) Uiso 1 1 d . . . . .
C12 C 0.07336(14) 0.06593(19) 0.33881(13) 0.0338(4) Uani 1 1 d . . . . .
H12 H 0.1003(18) -0.008(3) 0.3139(16) 0.051(7) Uiso 1 1 d . . . . .
C13 C 0.09971(13) 0.20689(17) 0.33141(12) 0.0272(3) Uani 1 1 d . . . . .
H13 H 0.1439(17) 0.234(3) 0.3009(15) 0.040(6) Uiso 1 1 d . . . . .
C14 C 0.28699(11) 0.66214(16) 0.34127(10) 0.0210(3) Uani 1 1 d . . . . .
C15 C 0.36389(12) 0.56364(18) 0.36024(12) 0.0272(3) Uani 1 1 d . . . . .
H15 H 0.3495(16) 0.465(2) 0.3605(13) 0.034(6) Uiso 1 1 d . . . . .
C16 C 0.46029(13) 0.6107(2) 0.38099(16) 0.0415(5) Uani 1 1 d . . . . .
H16 H 0.5106(19) 0.536(3) 0.3919(16) 0.052(7) Uiso 1 1 d . . . . .
C17 C 0.48336(14) 0.7559(2) 0.38348(19) 0.0501(6) Uani 1 1 d . . . . .
C18 C 0.40545(14) 0.8530(2) 0.36176(16) 0.0395(5) Uani 1 1 d . . . . .
H18 H 0.4193(17) 0.954(3) 0.3645(14) 0.042(6) Uiso 1 1 d . . . . .
C19 C 0.30891(12) 0.80773(18) 0.34144(12) 0.0274(4) Uani 1 1 d . . . . .
H19 H 0.2553(17) 0.878(2) 0.3289(14) 0.038(6) Uiso 1 1 d . . . . .
C20 C 0.58946(18) 0.8134(3) 0.4166(2) 0.0241(6) Uani 0.678(4) 1 d . . P A 1
H20 H 0.5890 0.9094 0.4422 0.029 Uiso 0.678(4) 1 calc R U P A 1
C21 C 0.67339(15) 0.7142(2) 0.47841(13) 0.0406(5) Uani 0.678(4) 1 d . . P A 1
H21A H 0.7063 0.7636 0.5310 0.049 Uiso 0.678(4) 1 calc R U P A 1
H21B H 0.6466 0.6218 0.4897 0.049 Uiso 0.678(4) 1 calc R U P A 1
C22 C 0.74238(13) 0.6952(2) 0.42579(14) 0.0368(4) Uani 0.678(4) 1 d . . P A 1
H22 H 0.7888 0.6126 0.4409 0.044 Uiso 0.678(4) 1 calc R U P A 1
C23 C 0.78856(13) 0.8387(2) 0.42581(15) 0.0399(5) Uani 0.678(4) 1 d . . P A 1
H23 H 0.8521 0.8682 0.4584 0.048 Uiso 0.678(4) 1 calc R U P A 1
C24 C 0.72174(18) 0.9163(3) 0.37049(17) 0.0292(6) Uani 0.678(4) 1 d . . P A 1
H24 H 0.7308 1.0104 0.3532 0.035 Uiso 0.678(4) 1 calc R U P A 1
C25 C 0.62916(17) 0.8284(3) 0.34010(16) 0.0262(6) Uani 0.678(4) 1 d . . P A 1
H25 H 0.5804 0.8605 0.2874 0.031 Uiso 0.678(4) 1 calc R U P A 1
C26 C 0.66671(18) 0.6888(3) 0.34034(15) 0.0528(6) Uani 0.678(4) 1 d . . P A 1
H26A H 0.6974 0.6747 0.2964 0.063 Uiso 0.678(4) 1 calc R U P A 1
H26B H 0.6163 0.6145 0.3364 0.063 Uiso 0.678(4) 1 calc R U P A 1
C20' C 0.5789(4) 0.8167(6) 0.3678(5) 0.0268(13) Uani 0.322(4) 1 d . . P A 2
H20' H 0.5655 0.9041 0.3323 0.032 Uiso 0.322(4) 1 calc R U P A 2
C21' C 0.66671(18) 0.6888(3) 0.34034(15) 0.0528(6) Uani 0.322(4) 1 d . . P A 2
H21C H 0.6386 0.5922 0.3257 0.063 Uiso 0.322(4) 1 calc R U P A 2
H21D H 0.6920 0.7262 0.2966 0.063 Uiso 0.322(4) 1 calc R U P A 2
C22' C 0.74238(13) 0.6952(2) 0.42579(14) 0.0368(4) Uani 0.322(4) 1 d . . P A 2
H22' H 0.7888 0.6126 0.4409 0.044 Uiso 0.322(4) 1 calc R U P A 2
C23' C 0.78856(13) 0.8387(2) 0.42581(15) 0.0399(5) Uani 0.322(4) 1 d . . P A 2
H23' H 0.8444 0.8630 0.4099 0.048 Uiso 0.322(4) 1 calc R U P A 2
C24' C 0.7236(4) 0.9350(7) 0.4576(5) 0.0434(18) Uani 0.322(4) 1 d . . P A 2
H24' H 0.7364 1.0325 0.4727 0.052 Uiso 0.322(4) 1 calc R U P A 2
C25' C 0.6361(4) 0.8517(7) 0.4613(4) 0.0332(14) Uani 0.322(4) 1 d . . P A 2
H25' H 0.5972 0.8908 0.4960 0.040 Uiso 0.322(4) 1 calc R U P A 2
C26' C 0.67339(15) 0.7142(2) 0.47841(13) 0.0406(5) Uani 0.322(4) 1 d . . P A 2
H26C H 0.6199 0.6428 0.4632 0.049 Uiso 0.322(4) 1 calc R U P A 2
H26D H 0.7099 0.7037 0.5377 0.049 Uiso 0.322(4) 1 calc R U P A 2


_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 1.380(2) . ?
F2 B1 1.357(2) . ?
B1 N1 1.553(2) . ?
B1 N3 1.560(2) . ?
N1 N2 1.3164(18) . ?
N1 C2 1.428(2) . ?
N2 C1 1.3407(19) . ?
N3 N4 1.3072(18) . ?
N3 C8 1.4286(18) . ?
N4 C1 1.3496(19) . ?
C1 C14 1.474(2) . ?
C2 C7 1.386(3) . ?
C2 C3 1.394(2) . ?
C3 C4 1.388(3) . ?
C3 H3 0.97(2) . ?
C4 C5 1.382(4) . ?
C4 H4 0.97(3) . ?
C5 C6 1.382(4) . ?
C5 H5 0.94(3) . ?
C6 C7 1.392(3) . ?
C6 H6 0.93(3) . ?
C7 H7 0.94(2) . ?
C8 C9 1.388(2) . ?
C8 C13 1.392(2) . ?
C9 C10 1.389(2) . ?
C9 H9 0.96(2) . ?
C10 C11 1.386(3) . ?
C10 H10 0.98(2) . ?
C11 C12 1.386(3) . ?
C11 H11 0.98(2) . ?
C12 C13 1.389(2) . ?
C12 H12 0.96(3) . ?
C13 H13 0.97(2) . ?
C14 C15 1.396(2) . ?
C14 C19 1.398(2) . ?
C15 C16 1.388(2) . ?
C15 H15 0.94(2) . ?
C16 C17 1.396(3) . ?
C16 H16 0.98(3) . ?
C17 C18 1.398(3) . ?
C17 C20 1.546(3) . ?
C17 C20' 1.582(6) . ?
C18 C19 1.385(2) . ?
C18 H18 0.96(2) . ?
C19 H19 0.98(2) . ?
C20 C25 1.587(4) . ?
C20 C21 1.623(4) . ?
C20 H20 1.0000 . ?
C21 C22 1.540(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.497(3) . ?
C22 C26 1.526(3) . ?
C22 H22 1.0000 . ?
C23 C24 1.333(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.511(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.412(4) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C20' C25' 1.588(10) . ?
C20' C21' 1.898(7) . ?
C20' H20' 1.0000 . ?
C21' C22' 1.526(3) . ?
C21' H21C 0.9900 . ?
C21' H21D 0.9900 . ?
C22' C23' 1.497(3) . ?
C22' C26' 1.540(3) . ?
C22' H22' 1.0000 . ?
C23' C24' 1.513(8) . ?
C23' H23' 0.9500 . ?
C24' C25' 1.496(8) . ?
C24' H24' 0.9500 . ?
C25' C26' 1.389(6) . ?
C25' H25' 1.0000 . ?
C26' H26C 0.9900 . ?
C26' H26D 0.9900 . ?

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
F2 B1 F1 113.39(15) . . ?
F2 B1 N1 111.99(14) . . ?
F1 B1 N1 109.11(13) . . ?
F2 B1 N3 112.32(14) . . ?
F1 B1 N3 108.41(14) . . ?
N1 B1 N3 100.86(12) . . ?
N2 N1 C2 115.58(13) . . ?
N2 N1 B1 118.77(12) . . ?
C2 N1 B1 125.64(13) . . ?
N1 N2 C1 116.33(12) . . ?
N4 N3 C8 116.23(12) . . ?
N4 N3 B1 118.61(12) . . ?
C8 N3 B1 125.16(12) . . ?
N3 N4 C1 116.79(12) . . ?
N2 C1 N4 124.06(13) . . ?
N2 C1 C14 117.66(13) . . ?
N4 C1 C14 117.79(13) . . ?
C7 C2 C3 121.01(16) . . ?
C7 C2 N1 119.97(15) . . ?
C3 C2 N1 119.02(16) . . ?
C4 C3 C2 119.1(2) . . ?
C4 C3 H3 121.1(13) . . ?
C2 C3 H3 119.8(13) . . ?
C5 C4 C3 120.2(2) . . ?
C5 C4 H4 119.0(16) . . ?
C3 C4 H4 120.7(16) . . ?
C6 C5 C4 120.18(19) . . ?
C6 C5 H5 120.2(16) . . ?
C4 C5 H5 119.7(16) . . ?
C5 C6 C7 120.6(2) . . ?
C5 C6 H6 122.5(16) . . ?
C7 C6 H6 116.8(16) . . ?
C2 C7 C6 118.83(19) . . ?
C2 C7 H7 119.7(13) . . ?
C6 C7 H7 121.4(13) . . ?
C9 C8 C13 121.00(14) . . ?
C9 C8 N3 118.73(13) . . ?
C13 C8 N3 120.26(14) . . ?
C8 C9 C10 119.44(15) . . ?
C8 C9 H9 120.4(13) . . ?
C10 C9 H9 120.2(13) . . ?
C11 C10 C9 120.14(16) . . ?
C11 C10 H10 121.4(13) . . ?
C9 C10 H10 118.4(13) . . ?
C12 C11 C10 119.89(15) . . ?
C12 C11 H11 120.7(13) . . ?
C10 C11 H11 119.4(13) . . ?
C11 C12 C13 120.82(17) . . ?
C11 C12 H12 119.9(15) . . ?
C13 C12 H12 119.3(15) . . ?
C12 C13 C8 118.70(16) . . ?
C12 C13 H13 122.4(14) . . ?
C8 C13 H13 118.8(14) . . ?
C15 C14 C19 118.83(14) . . ?
C15 C14 C1 121.39(14) . . ?
C19 C14 C1 119.67(14) . . ?
C16 C15 C14 120.12(16) . . ?
C16 C15 H15 120.7(13) . . ?
C14 C15 H15 119.2(13) . . ?
C15 C16 C17 121.65(17) . . ?
C15 C16 H16 116.0(15) . . ?
C17 C16 H16 122.3(15) . . ?
C16 C17 C18 117.54(17) . . ?
C16 C17 C20 123.17(19) . . ?
C18 C17 C20 119.02(18) . . ?
C16 C17 C20' 123.7(3) . . ?
C18 C17 C20' 112.6(3) . . ?
C19 C18 C17 121.46(17) . . ?
C19 C18 H18 119.1(14) . . ?
C17 C18 H18 119.3(14) . . ?
C18 C19 C14 120.34(16) . . ?
C18 C19 H19 120.3(13) . . ?
C14 C19 H19 119.3(13) . . ?
C17 C20 C25 107.0(2) . . ?
C17 C20 C21 119.1(2) . . ?
C25 C20 C21 101.72(19) . . ?
C17 C20 H20 109.5 . . ?
C25 C20 H20 109.5 . . ?
C21 C20 H20 109.5 . . ?
C22 C21 C20 99.63(18) . . ?
C22 C21 H21A 111.8 . . ?
C20 C21 H21A 111.8 . . ?
C22 C21 H21B 111.8 . . ?
C20 C21 H21B 111.8 . . ?
H21A C21 H21B 109.6 . . ?
C23 C22 C26 102.61(17) . . ?
C23 C22 C21 105.10(18) . . ?
C26 C22 C21 99.71(17) . . ?
C23 C22 H22 115.8 . . ?
C26 C22 H22 115.8 . . ?
C21 C22 H22 115.8 . . ?
C24 C23 C22 105.57(18) . . ?
C24 C23 H23 127.2 . . ?
C22 C23 H23 127.2 . . ?
C23 C24 C25 107.9(2) . . ?
C23 C24 H24 126.0 . . ?
C25 C24 H24 126.0 . . ?
C26 C25 C24 102.1(2) . . ?
C26 C25 C20 98.6(2) . . ?
C24 C25 C20 105.5(2) . . ?
C26 C25 H25 116.1 . . ?
C24 C25 H25 116.1 . . ?
C20 C25 H25 116.1 . . ?
C25 C26 C22 97.1(2) . . ?
C25 C26 H26A 112.3 . . ?
C22 C26 H26A 112.3 . . ?
C25 C26 H26B 112.3 . . ?
C22 C26 H26B 112.3 . . ?
H26A C26 H26B 109.9 . . ?
C17 C20' C25' 96.1(5) . . ?
C17 C20' C21' 119.4(3) . . ?
C25' C20' C21' 101.8(4) . . ?
C17 C20' H20' 112.5 . . ?
C25' C20' H20' 112.5 . . ?
C21' C20' H20' 112.5 . . ?
C22' C21' C20' 93.9(3) . . ?
C22' C21' H21C 112.9 . . ?
C20' C21' H21C 112.9 . . ?
C22' C21' H21D 112.9 . . ?
C20' C21' H21D 112.9 . . ?
H21C C21' H21D 110.4 . . ?
C23' C22' C21' 102.61(17) . . ?
C23' C22' C26' 105.10(18) . . ?
C21' C22' C26' 99.71(17) . . ?
C23' C22' H22' 115.8 . . ?
C21' C22' H22' 115.8 . . ?
C26' C22' H22' 115.8 . . ?
C22' C23' C24' 102.3(3) . . ?
C22' C23' H23' 128.8 . . ?
C24' C23' H23' 128.8 . . ?
C25' C24' C23' 108.8(5) . . ?
C25' C24' H24' 125.6 . . ?
C23' C24' H24' 125.6 . . ?
C26' C25' C24' 102.6(4) . . ?
C26' C25' C20' 93.8(4) . . ?
C24' C25' C20' 104.0(5) . . ?
C26' C25' H25' 117.6 . . ?
C24' C25' H25' 117.6 . . ?
C20' C25' H25' 117.6 . . ?
C25' C26' C22' 105.0(3) . . ?
C25' C26' H26C 110.7 . . ?
C22' C26' H26C 110.7 . . ?
C25' C26' H26D 110.7 . . ?
C22' C26' H26D 110.7 . . ?
H26C C26' H26D 108.8 . . ?

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
F2 B1 N1 N2 -167.39(13) . . . . ?
F1 B1 N1 N2 66.25(17) . . . . ?
N3 B1 N1 N2 -47.75(17) . . . . ?
F2 B1 N1 C2 11.1(2) . . . . ?
F1 B1 N1 C2 -115.23(16) . . . . ?
N3 B1 N1 C2 130.77(14) . . . . ?
C2 N1 N2 C1 -160.55(13) . . . . ?
B1 N1 N2 C1 18.12(19) . . . . ?
F2 B1 N3 N4 166.22(14) . . . . ?
F1 B1 N3 N4 -67.70(17) . . . . ?
N1 B1 N3 N4 46.82(17) . . . . ?
F2 B1 N3 C8 -14.4(2) . . . . ?
F1 B1 N3 C8 111.67(16) . . . . ?
N1 B1 N3 C8 -133.80(14) . . . . ?
C8 N3 N4 C1 164.06(13) . . . . ?
B1 N3 N4 C1 -16.51(19) . . . . ?
N1 N2 C1 N4 22.7(2) . . . . ?
N1 N2 C1 C14 -165.68(13) . . . . ?
N3 N4 C1 N2 -23.5(2) . . . . ?
N3 N4 C1 C14 164.85(13) . . . . ?
N2 N1 C2 C7 32.9(2) . . . . ?
B1 N1 C2 C7 -145.64(16) . . . . ?
N2 N1 C2 C3 -147.17(14) . . . . ?
B1 N1 C2 C3 34.3(2) . . . . ?
C7 C2 C3 C4 1.4(2) . . . . ?
N1 C2 C3 C4 -178.50(15) . . . . ?
C2 C3 C4 C5 0.4(3) . . . . ?
C3 C4 C5 C6 -1.7(3) . . . . ?
C4 C5 C6 C7 1.2(3) . . . . ?
C3 C2 C7 C6 -1.9(3) . . . . ?
N1 C2 C7 C6 178.02(16) . . . . ?
C5 C6 C7 C2 0.6(3) . . . . ?
N4 N3 C8 C9 148.98(14) . . . . ?
B1 N3 C8 C9 -30.4(2) . . . . ?
N4 N3 C8 C13 -31.2(2) . . . . ?
B1 N3 C8 C13 149.37(16) . . . . ?
C13 C8 C9 C10 -1.3(2) . . . . ?
N3 C8 C9 C10 178.46(14) . . . . ?
C8 C9 C10 C11 0.5(2) . . . . ?
C9 C10 C11 C12 0.2(3) . . . . ?
C10 C11 C12 C13 -0.1(3) . . . . ?
C11 C12 C13 C8 -0.7(3) . . . . ?
C9 C8 C13 C12 1.4(3) . . . . ?
N3 C8 C13 C12 -178.36(16) . . . . ?
N2 C1 C14 C15 -153.06(16) . . . . ?
N4 C1 C14 C15 19.1(2) . . . . ?
N2 C1 C14 C19 30.7(2) . . . . ?
N4 C1 C14 C19 -157.15(16) . . . . ?
C19 C14 C15 C16 1.7(3) . . . . ?
C1 C14 C15 C16 -174.59(18) . . . . ?
C14 C15 C16 C17 -0.1(4) . . . . ?
C15 C16 C17 C18 -1.9(4) . . . . ?
C15 C16 C17 C20 172.1(3) . . . . ?
C15 C16 C17 C20' -152.2(4) . . . . ?
C16 C17 C18 C19 2.4(4) . . . . ?
C20 C17 C18 C19 -171.9(2) . . . . ?
C20' C17 C18 C19 155.8(4) . . . . ?
C17 C18 C19 C14 -0.8(3) . . . . ?
C15 C14 C19 C18 -1.3(3) . . . . ?
C1 C14 C19 C18 175.06(18) . . . . ?
C16 C17 C20 C25 93.1(3) . . . . ?
C18 C17 C20 C25 -93.0(3) . . . . ?
C16 C17 C20 C21 -21.3(4) . . . . ?
C18 C17 C20 C21 152.6(3) . . . . ?
C17 C20 C21 C22 117.8(2) . . . . ?
C25 C20 C21 C22 0.6(2) . . . . ?
C20 C21 C22 C23 70.50(19) . . . . ?
C20 C21 C22 C26 -35.49(19) . . . . ?
C26 C22 C23 C24 24.3(3) . . . . ?
C21 C22 C23 C24 -79.5(2) . . . . ?
C22 C23 C24 C25 5.0(3) . . . . ?
C23 C24 C25 C26 -35.2(3) . . . . ?
C23 C24 C25 C20 67.4(3) . . . . ?
C17 C20 C25 C26 -87.9(2) . . . . ?
C21 C20 C25 C26 37.7(2) . . . . ?
C17 C20 C25 C24 166.87(19) . . . . ?
C21 C20 C25 C24 -67.5(2) . . . . ?
C24 C25 C26 C22 46.8(2) . . . . ?
C20 C25 C26 C22 -61.1(2) . . . . ?
C23 C22 C26 C25 -44.7(2) . . . . ?
C21 C22 C26 C25 63.30(19) . . . . ?
C16 C17 C20' C25' -105.1(4) . . . . ?
C18 C17 C20' C25' 103.4(4) . . . . ?
C16 C17 C20' C21' 2.1(7) . . . . ?
C18 C17 C20' C21' -149.4(4) . . . . ?
C17 C20' C21' C22' -104.3(5) . . . . ?
C25' C20' C21' C22' -0.2(3) . . . . ?
C20' C21' C22' C23' -74.9(2) . . . . ?
C20' C21' C22' C26' 33.1(2) . . . . ?
C21' C22' C23' C24' 89.2(3) . . . . ?
C26' C22' C23' C24' -14.7(3) . . . . ?
C22' C23' C24' C25' -9.0(5) . . . . ?
C23' C24' C25' C26' 31.6(6) . . . . ?
C23' C24' C25' C20' -65.6(6) . . . . ?
C17 C20' C25' C26' 85.4(4) . . . . ?
C21' C20' C25' C26' -36.3(4) . . . . ?
C17 C20' C25' C24' -170.5(4) . . . . ?
C21' C20' C25' C24' 67.7(5) . . . . ?
C24' C25' C26' C22' -40.1(5) . . . . ?
C20' C25' C26' C22' 65.2(4) . . . . ?
C23' C22' C26' C25' 35.7(3) . . . . ?
C21' C22' C26' C25' -70.3(3) . . . . ?

_refine_diff_density_max         0.700
_refine_diff_density_min         -0.706
_refine_diff_density_rms         0.061


_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'Bruker Apex2'
_diffrn_measurement_device       'κ-geometry diffractometer'
