# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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 
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data_14hhe03
_database_code_depnum_ccdc_archive 'CCDC 1562092'
_audit_update_record             
;
2017-07-14 deposited with the CCDC.
2017-08-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2012
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C46 H50 B2 F4 N6'
_chemical_formula_sum            'C46 H50 B2 F4 N6'
_chemical_formula_weight         784.54

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   23.0192(7)
_cell_length_b                   10.7450(3)
_cell_length_c                   17.5896(5)
_cell_angle_alpha                90
_cell_angle_beta                 112.737(2)
_cell_angle_gamma                90
_cell_volume                     4012.5(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    7841
_cell_measurement_theta_min      4.155
_cell_measurement_theta_max      67.039

_exptl_crystal_description       'tranparent plate'
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.299
_exptl_crystal_F_000             1656
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.406
_exptl_crystal_size_mid          0.206
_exptl_crystal_size_min          0.139
_exptl_absorpt_coefficient_mu    0.726
_shelx_estimated_absorpt_T_min   0.757
_shelx_estimated_absorpt_T_max   0.906
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.472
_exptl_absorpt_correction_T_max  0.753
_exptl_absorpt_process_details   'SADABS (Bruker, 2013)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 8.33
_diffrn_standards_number         ?
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            42274
_diffrn_reflns_av_unetI/netI     0.0271
_diffrn_reflns_av_R_equivalents  0.0588
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         4.165
_diffrn_reflns_theta_max         68.238
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             3677
_reflns_number_gt                3145
_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.

All nonhydrogen atoms were located in a single difference Fourier electron
 density map and refined using anisotropic diplacement parameters. All C-H
 hydrogen atoms were placed in calculated positions with Uiso = 1.2xUeqiv
 (1.5Ueq for methyl groups) of the connected C atoms.
;

_computing_data_collection       'APEX2 (Bruker, 2010)'
_computing_cell_refinement       APEX2
_computing_data_reduction        
;
SAINT (Bruker, 2013) and XPREP (Bruker, 2013)
;
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2012 (Sheldrick, 2012)'
_computing_molecular_graphics    'XSEED (Barbour, 2001)'
_computing_publication_material  'XSEED (Barbour, 2001)'

_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)+(0.0497P)²+2.9773P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3677
_refine_ls_number_parameters     268
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0436
_refine_ls_R_factor_gt           0.0365
_refine_ls_wR_factor_ref         0.0992
_refine_ls_wR_factor_gt          0.0942
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.023
_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 0.35951(4) 0.65412(8) 0.03143(5) 0.0302(2) Uani 1 1 d . . . . .
F2 F 0.27486(4) 0.56750(8) -0.06984(5) 0.0283(2) Uani 1 1 d . . . . .
N1 N 0.31294(5) 0.47168(11) 0.06449(7) 0.0217(3) Uani 1 1 d . . . . .
N2 N 0.37393(5) 0.45779(11) -0.02522(7) 0.0224(3) Uani 1 1 d . . . . .
N3 N 0.44817(6) -0.06366(11) 0.17661(8) 0.0290(3) Uani 1 1 d . . . . .
C1 C 0.28086(6) 0.51660(13) 0.10871(8) 0.0238(3) Uani 1 1 d . . . . .
C2 C 0.27492(6) 0.42292(13) 0.16133(8) 0.0248(3) Uani 1 1 d . . . . .
C3 C 0.30430(7) 0.31680(13) 0.14802(8) 0.0242(3) Uani 1 1 d . . . . .
C4 C 0.32929(6) 0.34813(13) 0.08820(8) 0.0219(3) Uani 1 1 d . . . . .
C5 C 0.36955(6) 0.28358(13) 0.05944(8) 0.0217(3) Uani 1 1 d . . . . .
C6 C 0.39261(6) 0.33698(13) 0.00447(8) 0.0222(3) Uani 1 1 d . . . . .
C7 C 0.43543(6) 0.29319(14) -0.03097(8) 0.0245(3) Uani 1 1 d . . . . .
C8 C 0.44039(6) 0.38661(15) -0.08201(8) 0.0270(3) Uani 1 1 d . . . . .
C9 C 0.40282(6) 0.48760(14) -0.07597(8) 0.0252(3) Uani 1 1 d . . . . .
C10 C 0.39508(6) 0.16143(13) 0.09787(8) 0.0223(3) Uani 1 1 d . . . . .
C11 C 0.36997(7) 0.04871(13) 0.06472(9) 0.0263(3) Uani 1 1 d . . . . .
H11 H 0.3341 0.0447 0.0144 0.032 Uiso 1 1 calc R U . . .
C12 C 0.39808(7) -0.06052(14) 0.10622(9) 0.0302(3) Uani 1 1 d . . . . .
H12 H 0.3800 -0.1377 0.0823 0.036 Uiso 1 1 calc R U . . .
C13 C 0.47290(7) 0.04735(13) 0.21088(8) 0.0241(3) Uani 1 1 d . . . . .
C14 C 0.44802(7) 0.16254(13) 0.17384(8) 0.0229(3) Uani 1 1 d . . . . .
C15 C 0.47527(7) 0.27705(13) 0.21345(8) 0.0237(3) Uani 1 1 d . . . . .
H15 H 0.4583 0.3540 0.1879 0.028 Uiso 1 1 calc R U . . .
C17 C 0.25809(7) 0.64773(14) 0.10122(9) 0.0299(3) Uani 1 1 d . . . . .
H17A H 0.2942 0.7040 0.1240 0.045 Uiso 1 1 calc R U . . .
H17B H 0.2307 0.6577 0.1318 0.045 Uiso 1 1 calc R U . . .
H17C H 0.2344 0.6677 0.0430 0.045 Uiso 1 1 calc R U . . .
C18 C 0.24322(7) 0.43851(15) 0.22093(9) 0.0295(3) Uani 1 1 d . . . . .
H18A H 0.2550 0.5206 0.2482 0.035 Uiso 1 1 calc R U . . .
H18B H 0.2591 0.3738 0.2641 0.035 Uiso 1 1 calc R U . . .
C19 C 0.17160(8) 0.42967(18) 0.18122(11) 0.0408(4) Uani 1 1 d . . . . .
H19A H 0.1551 0.4970 0.1410 0.061 Uiso 1 1 calc R U . . .
H19B H 0.1542 0.4371 0.2238 0.061 Uiso 1 1 calc R U . . .
H19C H 0.1594 0.3492 0.1533 0.061 Uiso 1 1 calc R U . . .
C20 C 0.30749(8) 0.19422(14) 0.19021(9) 0.0321(3) Uani 1 1 d . . . . .
H20A H 0.2824 0.1985 0.2242 0.048 Uiso 1 1 calc R U . . .
H20B H 0.3514 0.1754 0.2252 0.048 Uiso 1 1 calc R U . . .
H20C H 0.2907 0.1286 0.1487 0.048 Uiso 1 1 calc R U . . .
C21 C 0.46967(7) 0.17112(15) -0.01647(9) 0.0301(3) Uani 1 1 d . . . . .
H21A H 0.4972 0.1692 -0.0473 0.045 Uiso 1 1 calc R U . . .
H21B H 0.4391 0.1030 -0.0351 0.045 Uiso 1 1 calc R U . . .
H21C H 0.4952 0.1614 0.0425 0.045 Uiso 1 1 calc R U . . .
C22 C 0.47374(7) 0.38487(17) -0.14065(9) 0.0344(4) Uani 1 1 d . . . . .
H22A H 0.5072 0.3207 -0.1230 0.041 Uiso 1 1 calc R U . . .
H22B H 0.4939 0.4666 -0.1395 0.041 Uiso 1 1 calc R U . . .
C23 C 0.42732(9) 0.3567(2) -0.22868(10) 0.0460(5) Uani 1 1 d . . . . .
H23A H 0.4097 0.2733 -0.2306 0.069 Uiso 1 1 calc R U . . .
H23B H 0.4494 0.3607 -0.2664 0.069 Uiso 1 1 calc R U . . .
H23C H 0.3932 0.4182 -0.2453 0.069 Uiso 1 1 calc R U . . .
C24 C 0.39674(7) 0.61159(15) -0.11633(9) 0.0320(3) Uani 1 1 d . . . . .
H24A H 0.3670 0.6631 -0.1026 0.048 Uiso 1 1 calc R U . . .
H24B H 0.3812 0.6007 -0.1762 0.048 Uiso 1 1 calc R U . . .
H24C H 0.4380 0.6525 -0.0967 0.048 Uiso 1 1 calc R U . . .
B1 B 0.32925(8) 0.54271(15) -0.00106(9) 0.0231(3) 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
F1 B1 1.3918(18) . ?
F2 B1 1.3896(17) . ?
N1 C1 1.3517(18) . ?
N1 C4 1.3987(18) . ?
N1 B1 1.5453(19) . ?
N2 C9 1.3420(18) . ?
N2 C6 1.4033(17) . ?
N2 B1 1.5520(19) . ?
N3 C12 1.327(2) . ?
N3 C13 1.3584(18) . ?
C1 C2 1.409(2) . ?
C1 C17 1.491(2) . ?
C2 C3 1.391(2) . ?
C2 C18 1.500(2) . ?
C3 C4 1.4211(19) . ?
C3 C20 1.500(2) . ?
C4 C5 1.399(2) . ?
C5 C6 1.3938(19) . ?
C5 C10 1.4892(19) . ?
C6 C7 1.434(2) . ?
C7 C8 1.381(2) . ?
C7 C21 1.500(2) . ?
C8 C9 1.417(2) . ?
C8 C22 1.505(2) . ?
C9 C24 1.490(2) . ?
C10 C11 1.371(2) . ?
C10 C14 1.4185(19) . ?
C11 C12 1.401(2) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.4128(19) . ?
C13 C13 1.457(3) 2_655 ?
C14 C15 1.4336(19) . ?
C15 C15 1.348(3) 2_655 ?
C15 H15 0.9500 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.525(2) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.534(2) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?

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 108.13(11) . . ?
C1 N1 B1 126.68(12) . . ?
C4 N1 B1 125.19(11) . . ?
C9 N2 C6 108.00(12) . . ?
C9 N2 B1 126.37(12) . . ?
C6 N2 B1 125.61(11) . . ?
C12 N3 C13 117.12(12) . . ?
N1 C1 C2 109.63(12) . . ?
N1 C1 C17 122.55(13) . . ?
C2 C1 C17 127.80(13) . . ?
C3 C2 C1 107.35(12) . . ?
C3 C2 C18 127.48(13) . . ?
C1 C2 C18 125.16(13) . . ?
C2 C3 C4 107.01(12) . . ?
C2 C3 C20 124.81(13) . . ?
C4 C3 C20 128.18(13) . . ?
N1 C4 C5 120.14(12) . . ?
N1 C4 C3 107.84(12) . . ?
C5 C4 C3 131.63(13) . . ?
C6 C5 C4 121.99(13) . . ?
C6 C5 C10 119.23(12) . . ?
C4 C5 C10 118.24(12) . . ?
C5 C6 N2 119.66(12) . . ?
C5 C6 C7 132.58(13) . . ?
N2 C6 C7 107.76(12) . . ?
C8 C7 C6 106.72(13) . . ?
C8 C7 C21 125.18(13) . . ?
C6 C7 C21 128.10(13) . . ?
C7 C8 C9 107.56(13) . . ?
C7 C8 C22 128.97(14) . . ?
C9 C8 C22 123.27(14) . . ?
N2 C9 C8 109.93(13) . . ?
N2 C9 C24 123.42(13) . . ?
C8 C9 C24 126.61(13) . . ?
C11 C10 C14 118.39(12) . . ?
C11 C10 C5 123.91(12) . . ?
C14 C10 C5 117.70(12) . . ?
C10 C11 C12 118.97(13) . . ?
C10 C11 H11 120.5 . . ?
C12 C11 H11 120.5 . . ?
N3 C12 C11 124.56(13) . . ?
N3 C12 H12 117.7 . . ?
C11 C12 H12 117.7 . . ?
N3 C13 C14 122.62(12) . . ?
N3 C13 C13 118.56(8) . 2_655 ?
C14 C13 C13 118.82(8) . 2_655 ?
C13 C14 C10 118.34(12) . . ?
C13 C14 C15 120.30(13) . . ?
C10 C14 C15 121.35(12) . . ?
C15 C15 C14 120.87(8) 2_655 . ?
C15 C15 H15 119.6 2_655 . ?
C14 C15 H15 119.6 . . ?
C1 C17 H17A 109.5 . . ?
C1 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C1 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C2 C18 C19 113.88(12) . . ?
C2 C18 H18A 108.8 . . ?
C19 C18 H18A 108.8 . . ?
C2 C18 H18B 108.8 . . ?
C19 C18 H18B 108.8 . . ?
H18A C18 H18B 107.7 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C3 C20 H20A 109.5 . . ?
C3 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C3 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C7 C21 H21A 109.5 . . ?
C7 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C7 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C8 C22 C23 110.70(13) . . ?
C8 C22 H22A 109.5 . . ?
C23 C22 H22A 109.5 . . ?
C8 C22 H22B 109.5 . . ?
C23 C22 H22B 109.5 . . ?
H22A C22 H22B 108.1 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C9 C24 H24A 109.5 . . ?
C9 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C9 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
F2 B1 F1 109.40(12) . . ?
F2 B1 N1 110.32(12) . . ?
F1 B1 N1 110.23(11) . . ?
F2 B1 N2 110.11(11) . . ?
F1 B1 N2 109.80(12) . . ?
N1 B1 N2 106.96(11) . . ?

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 -0.76(15) . . . . ?
B1 N1 C1 C2 179.27(12) . . . . ?
C4 N1 C1 C17 177.80(12) . . . . ?
B1 N1 C1 C17 -2.2(2) . . . . ?
N1 C1 C2 C3 -0.35(16) . . . . ?
C17 C1 C2 C3 -178.81(13) . . . . ?
N1 C1 C2 C18 178.86(12) . . . . ?
C17 C1 C2 C18 0.4(2) . . . . ?
C1 C2 C3 C4 1.29(15) . . . . ?
C18 C2 C3 C4 -177.89(13) . . . . ?
C1 C2 C3 C20 -178.48(13) . . . . ?
C18 C2 C3 C20 2.3(2) . . . . ?
C1 N1 C4 C5 -172.12(12) . . . . ?
B1 N1 C4 C5 7.85(19) . . . . ?
C1 N1 C4 C3 1.56(14) . . . . ?
B1 N1 C4 C3 -178.47(12) . . . . ?
C2 C3 C4 N1 -1.76(15) . . . . ?
C20 C3 C4 N1 178.00(14) . . . . ?
C2 C3 C4 C5 170.92(14) . . . . ?
C20 C3 C4 C5 -9.3(2) . . . . ?
N1 C4 C5 C6 -2.5(2) . . . . ?
C3 C4 C5 C6 -174.48(13) . . . . ?
N1 C4 C5 C10 168.92(11) . . . . ?
C3 C4 C5 C10 -3.0(2) . . . . ?
C4 C5 C6 N2 -1.79(19) . . . . ?
C10 C5 C6 N2 -173.18(11) . . . . ?
C4 C5 C6 C7 177.26(14) . . . . ?
C10 C5 C6 C7 5.9(2) . . . . ?
C9 N2 C6 C5 179.47(12) . . . . ?
B1 N2 C6 C5 1.16(19) . . . . ?
C9 N2 C6 C7 0.20(14) . . . . ?
B1 N2 C6 C7 -178.10(12) . . . . ?
C5 C6 C7 C8 179.60(14) . . . . ?
N2 C6 C7 C8 -1.27(15) . . . . ?
C5 C6 C7 C21 -1.0(2) . . . . ?
N2 C6 C7 C21 178.14(13) . . . . ?
C6 C7 C8 C9 1.80(15) . . . . ?
C21 C7 C8 C9 -177.63(13) . . . . ?
C6 C7 C8 C22 -173.16(14) . . . . ?
C21 C7 C8 C22 7.4(2) . . . . ?
C6 N2 C9 C8 0.93(15) . . . . ?
B1 N2 C9 C8 179.22(12) . . . . ?
C6 N2 C9 C24 -177.04(12) . . . . ?
B1 N2 C9 C24 1.2(2) . . . . ?
C7 C8 C9 N2 -1.75(16) . . . . ?
C22 C8 C9 N2 173.57(13) . . . . ?
C7 C8 C9 C24 176.14(13) . . . . ?
C22 C8 C9 C24 -8.5(2) . . . . ?
C6 C5 C10 C11 -90.56(17) . . . . ?
C4 C5 C10 C11 97.73(16) . . . . ?
C6 C5 C10 C14 90.31(16) . . . . ?
C4 C5 C10 C14 -81.40(16) . . . . ?
C14 C10 C11 C12 -1.1(2) . . . . ?
C5 C10 C11 C12 179.80(14) . . . . ?
C13 N3 C12 C11 1.1(2) . . . . ?
C10 C11 C12 N3 0.0(2) . . . . ?
C12 N3 C13 C14 -1.1(2) . . . . ?
C12 N3 C13 C13 178.67(16) . . . 2_655 ?
N3 C13 C14 C10 0.0(2) . . . . ?
C13 C13 C14 C10 -179.71(15) 2_655 . . . ?
N3 C13 C14 C15 178.86(13) . . . . ?
C13 C13 C14 C15 -0.9(2) 2_655 . . . ?
C11 C10 C14 C13 1.0(2) . . . . ?
C5 C10 C14 C13 -179.77(12) . . . . ?
C11 C10 C14 C15 -177.76(13) . . . . ?
C5 C10 C14 C15 1.4(2) . . . . ?
C13 C14 C15 C15 -0.3(3) . . . 2_655 ?
C10 C14 C15 C15 178.52(16) . . . 2_655 ?
C3 C2 C18 C19 -100.76(18) . . . . ?
C1 C2 C18 C19 80.20(19) . . . . ?
C7 C8 C22 C23 97.15(19) . . . . ?
C9 C8 C22 C23 -77.1(2) . . . . ?
C1 N1 B1 F2 -67.85(17) . . . . ?
C4 N1 B1 F2 112.18(14) . . . . ?
C1 N1 B1 F1 53.08(17) . . . . ?
C4 N1 B1 F1 -126.88(13) . . . . ?
C1 N1 B1 N2 172.40(12) . . . . ?
C4 N1 B1 N2 -7.56(17) . . . . ?
C9 N2 B1 F2 65.19(17) . . . . ?
C6 N2 B1 F2 -116.82(13) . . . . ?
C9 N2 B1 F1 -55.33(17) . . . . ?
C6 N2 B1 F1 122.66(13) . . . . ?
C9 N2 B1 N1 -174.93(12) . . . . ?
C6 N2 B1 N1 3.06(17) . . . . ?

_refine_diff_density_max         0.203
_refine_diff_density_min         -0.196
_refine_diff_density_rms         0.039

_shelxl_version_number           2012-9

