# Electronic Supplementary Material (ESI) for Chemical Communications.
# 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_feroz_0m
_database_code_depnum_ccdc_archive 'CCDC 1420800'
_audit_update_record             
;
2015-08-27 deposited with the CCDC.
2015-09-24 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        ER_F
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C29 H25 B F2 N2 O2'
_chemical_formula_sum            'C29 H25 B F2 N2 O2'
_chemical_formula_weight         482.32

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P-1   '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.4699(7)
_cell_length_b                   10.9521(7)
_cell_length_c                   12.2593(7)
_cell_angle_alpha                108.143(3)
_cell_angle_beta                 95.509(4)
_cell_angle_gamma                106.047(4)
_cell_volume                     1258.03(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    7701
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      25.96

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            RED
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.32
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.273
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             504
_exptl_absorpt_coefficient_mu    0.089
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.9608
_exptl_absorpt_correction_T_max  0.9719
_exptl_absorpt_process_details   SADABS,(BRUKER,2006)

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            24454
_diffrn_reflns_av_R_equivalents  0.0532
_diffrn_reflns_av_sigmaI/netI    0.0411
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.78
_diffrn_reflns_theta_max         27.22
_reflns_number_total             5573
_reflns_number_gt                3842
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0750P)²+0.2565P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    CONSTR
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.014(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         5573
_refine_ls_number_parameters     329
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0758
_refine_ls_R_factor_gt           0.0516
_refine_ls_wR_factor_ref         0.1606
_refine_ls_wR_factor_gt          0.1417
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.024
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
F23 F 0.62954(11) 0.03253(11) 0.44023(10) 0.0692(3) Uani 1 1 d . . .
F24 F 0.82919(13) 0.14063(12) 0.56706(10) 0.0743(4) Uani 1 1 d . . .
O32 O 0.31984(16) 0.11933(17) 1.05877(13) 0.0821(5) Uani 1 1 d . . .
O34 O 0.4475(2) 0.2998(2) 1.21290(15) 0.1134(7) Uani 1 1 d . . .
N13 N 0.82767(14) 0.10987(14) 0.36389(13) 0.0517(4) Uani 1 1 d . . .
N14 N 0.72745(14) 0.27342(14) 0.48543(12) 0.0479(3) Uani 1 1 d . . .
C1 C 0.8018(2) 0.4450(3) 0.07761(18) 0.0722(6) Uani 1 1 d . . .
H1 H 0.7416 0.4227 0.0081 0.087 Uiso 1 1 calc R . .
C2 C 0.7732(2) 0.3683(2) 0.14764(17) 0.0625(5) Uani 1 1 d . . .
H2 H 0.6935 0.2950 0.1254 0.075 Uiso 1 1 calc R . .
C3 C 0.86210(17) 0.39928(17) 0.25097(14) 0.0491(4) Uani 1 1 d . . .
C4 C 0.9796(2) 0.5086(2) 0.28174(17) 0.0635(5) Uani 1 1 d . . .
H4 H 1.0408 0.5305 0.3506 0.076 Uiso 1 1 calc R . .
C5 C 1.0072(2) 0.5855(2) 0.2114(2) 0.0741(6) Uani 1 1 d . . .
H5 H 1.0865 0.6593 0.2333 0.089 Uiso 1 1 calc R . .
C6 C 0.9180(2) 0.5536(2) 0.10939(19) 0.0717(6) Uani 1 1 d . . .
H6 H 0.9365 0.6056 0.0621 0.086 Uiso 1 1 calc R . .
C7 C 0.83039(16) 0.31484(17) 0.32538(14) 0.0481(4) Uani 1 1 d . . .
C8 C 0.76562(17) 0.35506(17) 0.41939(14) 0.0483(4) Uani 1 1 d . . .
C9 C 0.86215(18) 0.19441(18) 0.29865(16) 0.0526(4) Uani 1 1 d . . .
C10 C 0.9298(2) 0.1330(2) 0.21157(18) 0.0642(5) Uani 1 1 d . . .
C11 C 0.9322(2) 0.0148(2) 0.2275(2) 0.0706(6) Uani 1 1 d . . .
H11 H 0.9696 -0.0469 0.1830 0.085 Uiso 1 1 calc R . .
C12 C 0.86996(19) 0.00162(19) 0.32053(18) 0.0592(5) Uani 1 1 d . . .
C15 C 0.66489(18) 0.33470(18) 0.56824(15) 0.0511(4) Uani 1 1 d . . .
C16 C 0.6640(2) 0.45784(19) 0.55609(16) 0.0593(5) Uani 1 1 d . . .
H16 H 0.6279 0.5193 0.6025 0.071 Uiso 1 1 calc R . .
C17 C 0.7251(2) 0.47295(19) 0.46478(16) 0.0573(5) Uani 1 1 d . . .
C18 C 0.60816(18) 0.27363(19) 0.64871(15) 0.0539(4) Uani 1 1 d . . .
H18 H 0.6125 0.1879 0.6415 0.065 Uiso 1 1 calc R . .
C19 C 0.7431(3) 0.5913(2) 0.4246(2) 0.0831(7) Uani 1 1 d . . .
H19A H 0.6920 0.6465 0.4631 0.125 Uiso 1 1 calc R . .
H19B H 0.7113 0.5590 0.3414 0.125 Uiso 1 1 calc R . .
H19C H 0.8374 0.6445 0.4436 0.125 Uiso 1 1 calc R . .
C20 C 0.9891(3) 0.1839(3) 0.1212(2) 0.0909(8) Uani 1 1 d . . .
H20A H 1.0353 0.1250 0.0802 0.136 Uiso 1 1 calc R . .
H20B H 1.0521 0.2741 0.1589 0.136 Uiso 1 1 calc R . .
H20C H 0.9177 0.1853 0.0667 0.136 Uiso 1 1 calc R . .
C21 C 0.8485(2) -0.1109(2) 0.3674(2) 0.0697(6) Uani 1 1 d . . .
H21A H 0.8905 -0.0750 0.4489 0.105 Uiso 1 1 calc R . .
H21B H 0.8880 -0.1759 0.3251 0.105 Uiso 1 1 calc R . .
H21C H 0.7530 -0.1544 0.3586 0.105 Uiso 1 1 calc R . .
C25 C 0.54993(19) 0.3326(2) 0.73272(15) 0.0555(4) Uani 1 1 d . . .
H25 H 0.5472 0.4186 0.7389 0.067 Uiso 1 1 calc R . .
C26 C 0.49002(18) 0.27582(19) 0.81594(14) 0.0529(4) Uani 1 1 d . . .
C27 C 0.4978(2) 0.1536(2) 0.82440(16) 0.0634(5) Uani 1 1 d . . .
H27 H 0.5416 0.1044 0.7741 0.076 Uiso 1 1 calc R . .
C28 C 0.4422(2) 0.1047(2) 0.90510(17) 0.0667(5) Uani 1 1 d . . .
H28 H 0.4483 0.0231 0.9093 0.080 Uiso 1 1 calc R . .
C29 C 0.3775(2) 0.1765(2) 0.97963(16) 0.0630(5) Uani 1 1 d . . .
C30 C 0.3639(2) 0.2945(2) 0.97287(18) 0.0720(6) Uani 1 1 d . . .
H30 H 0.3174 0.3410 1.0224 0.086 Uiso 1 1 calc R . .
C31 C 0.4202(2) 0.3439(2) 0.89129(17) 0.0654(5) Uani 1 1 d . . .
H31 H 0.4112 0.4243 0.8866 0.078 Uiso 1 1 calc R . .
C33 C 0.3682(2) 0.1850(3) 1.17423(19) 0.0707(6) Uani 1 1 d . . .
C35 C 0.3096(3) 0.1035(3) 1.2426(2) 0.0857(7) Uani 1 1 d . . .
H35 H 0.2352 0.0255 1.2053 0.103 Uiso 1 1 calc R . .
C36 C 0.3558(3) 0.1347(3) 1.3503(2) 0.1034(9) Uani 1 1 d . . .
H36A H 0.4301 0.2122 1.3892 0.124 Uiso 1 1 calc R . .
H36B H 0.3155 0.0801 1.3907 0.124 Uiso 1 1 calc R . .
B22 B 0.7516(2) 0.1351(2) 0.46624(17) 0.0510(5) 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
F23 B22 1.379(2) . ?
F24 B22 1.387(2) . ?
O32 C33 1.343(3) . ?
O32 C29 1.407(2) . ?
O34 C33 1.213(3) . ?
N13 C12 1.352(2) . ?
N13 C9 1.400(2) . ?
N13 B22 1.544(2) . ?
N14 C15 1.362(2) . ?
N14 C8 1.389(2) . ?
N14 B22 1.554(2) . ?
C1 C6 1.367(3) . ?
C1 C2 1.375(3) . ?
C1 H1 0.9300 . ?
C2 C3 1.385(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.380(3) . ?
C3 C7 1.487(2) . ?
C4 C5 1.380(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.372(3) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C9 1.397(2) . ?
C7 C8 1.407(2) . ?
C8 C17 1.434(2) . ?
C9 C10 1.434(3) . ?
C10 C11 1.375(3) . ?
C10 C20 1.499(3) . ?
C11 C12 1.393(3) . ?
C11 H11 0.9300 . ?
C12 C21 1.487(3) . ?
C15 C16 1.405(3) . ?
C15 C18 1.441(2) . ?
C16 C17 1.372(3) . ?
C16 H16 0.9300 . ?
C17 C19 1.497(3) . ?
C18 C25 1.332(2) . ?
C18 H18 0.9300 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C25 C26 1.457(3) . ?
C25 H25 0.9300 . ?
C26 C31 1.395(3) . ?
C26 C27 1.398(3) . ?
C27 C28 1.368(3) . ?
C27 H27 0.9300 . ?
C28 C29 1.370(3) . ?
C28 H28 0.9300 . ?
C29 C30 1.366(3) . ?
C30 C31 1.383(3) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C33 C35 1.462(3) . ?
C35 C36 1.266(4) . ?
C35 H35 0.9300 . ?
C36 H36A 0.9300 . ?
C36 H36B 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
C33 O32 C29 119.08(17) . . ?
C12 N13 C9 108.41(15) . . ?
C12 N13 B22 126.01(16) . . ?
C9 N13 B22 125.57(14) . . ?
C15 N14 C8 108.46(14) . . ?
C15 N14 B22 126.30(14) . . ?
C8 N14 B22 125.24(14) . . ?
C6 C1 C2 120.48(19) . . ?
C6 C1 H1 119.8 . . ?
C2 C1 H1 119.8 . . ?
C1 C2 C3 120.56(19) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 H2 119.7 . . ?
C4 C3 C2 118.46(17) . . ?
C4 C3 C7 121.56(16) . . ?
C2 C3 C7 119.98(16) . . ?
C3 C4 C5 120.66(18) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C6 C5 C4 120.2(2) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
C1 C6 C5 119.66(19) . . ?
C1 C6 H6 120.2 . . ?
C5 C6 H6 120.2 . . ?
C9 C7 C8 120.96(16) . . ?
C9 C7 C3 119.25(15) . . ?
C8 C7 C3 119.76(15) . . ?
N14 C8 C7 120.69(15) . . ?
N14 C8 C17 107.91(14) . . ?
C7 C8 C17 131.39(16) . . ?
C7 C9 N13 120.41(15) . . ?
C7 C9 C10 132.06(17) . . ?
N13 C9 C10 107.53(16) . . ?
C11 C10 C9 105.84(18) . . ?
C11 C10 C20 125.41(18) . . ?
C9 C10 C20 128.75(19) . . ?
C10 C11 C12 109.50(17) . . ?
C10 C11 H11 125.2 . . ?
C12 C11 H11 125.2 . . ?
N13 C12 C11 108.72(17) . . ?
N13 C12 C21 123.34(18) . . ?
C11 C12 C21 127.93(18) . . ?
N14 C15 C16 108.33(15) . . ?
N14 C15 C18 122.53(16) . . ?
C16 C15 C18 129.11(16) . . ?
C17 C16 C15 109.15(16) . . ?
C17 C16 H16 125.4 . . ?
C15 C16 H16 125.4 . . ?
C16 C17 C8 106.15(16) . . ?
C16 C17 C19 124.93(17) . . ?
C8 C17 C19 128.92(17) . . ?
C25 C18 C15 123.97(17) . . ?
C25 C18 H18 118.0 . . ?
C15 C18 H18 118.0 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C10 C20 H20A 109.5 . . ?
C10 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C10 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C12 C21 H21A 109.5 . . ?
C12 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C12 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C18 C25 C26 126.54(18) . . ?
C18 C25 H25 116.7 . . ?
C26 C25 H25 116.7 . . ?
C31 C26 C27 117.08(17) . . ?
C31 C26 C25 119.81(17) . . ?
C27 C26 C25 123.10(16) . . ?
C28 C27 C26 121.39(18) . . ?
C28 C27 H27 119.3 . . ?
C26 C27 H27 119.3 . . ?
C27 C28 C29 119.73(19) . . ?
C27 C28 H28 120.1 . . ?
C29 C28 H28 120.1 . . ?
C30 C29 C28 121.21(18) . . ?
C30 C29 O32 121.71(19) . . ?
C28 C29 O32 116.99(19) . . ?
C29 C30 C31 119.01(19) . . ?
C29 C30 H30 120.5 . . ?
C31 C30 H30 120.5 . . ?
C30 C31 C26 121.53(19) . . ?
C30 C31 H31 119.2 . . ?
C26 C31 H31 119.2 . . ?
O34 C33 O32 121.8(2) . . ?
O34 C33 C35 126.4(2) . . ?
O32 C33 C35 111.8(2) . . ?
C36 C35 C33 122.7(3) . . ?
C36 C35 H35 118.7 . . ?
C33 C35 H35 118.7 . . ?
C35 C36 H36A 120.0 . . ?
C35 C36 H36B 120.0 . . ?
H36A C36 H36B 120.0 . . ?
F23 B22 F24 108.66(16) . . ?
F23 B22 N13 110.74(14) . . ?
F24 B22 N13 110.18(15) . . ?
F23 B22 N14 110.28(15) . . ?
F24 B22 N14 109.91(14) . . ?
N13 B22 N14 107.06(14) . . ?

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
C6 C1 C2 C3 -0.5(3) . . . . ?
C1 C2 C3 C4 0.0(3) . . . . ?
C1 C2 C3 C7 -179.54(17) . . . . ?
C2 C3 C4 C5 0.4(3) . . . . ?
C7 C3 C4 C5 179.93(18) . . . . ?
C3 C4 C5 C6 -0.4(3) . . . . ?
C2 C1 C6 C5 0.6(3) . . . . ?
C4 C5 C6 C1 -0.1(3) . . . . ?
C4 C3 C7 C9 -96.3(2) . . . . ?
C2 C3 C7 C9 83.2(2) . . . . ?
C4 C3 C7 C8 85.5(2) . . . . ?
C2 C3 C7 C8 -95.1(2) . . . . ?
C15 N14 C8 C7 -178.71(15) . . . . ?
B22 N14 C8 C7 0.8(2) . . . . ?
C15 N14 C8 C17 0.42(19) . . . . ?
B22 N14 C8 C17 179.91(15) . . . . ?
C9 C7 C8 N14 -2.2(2) . . . . ?
C3 C7 C8 N14 175.94(15) . . . . ?
C9 C7 C8 C17 178.87(18) . . . . ?
C3 C7 C8 C17 -2.9(3) . . . . ?
C8 C7 C9 N13 1.2(3) . . . . ?
C3 C7 C9 N13 -177.00(15) . . . . ?
C8 C7 C9 C10 -178.07(19) . . . . ?
C3 C7 C9 C10 3.7(3) . . . . ?
C12 N13 C9 C7 -179.77(16) . . . . ?
B22 N13 C9 C7 1.4(3) . . . . ?
C12 N13 C9 C10 -0.3(2) . . . . ?
B22 N13 C9 C10 -179.19(16) . . . . ?
C7 C9 C10 C11 179.7(2) . . . . ?
N13 C9 C10 C11 0.4(2) . . . . ?
C7 C9 C10 C20 0.5(4) . . . . ?
N13 C9 C10 C20 -178.8(2) . . . . ?
C9 C10 C11 C12 -0.3(2) . . . . ?
C20 C10 C11 C12 178.9(2) . . . . ?
C9 N13 C12 C11 0.1(2) . . . . ?
B22 N13 C12 C11 178.98(17) . . . . ?
C9 N13 C12 C21 -179.03(17) . . . . ?
B22 N13 C12 C21 -0.2(3) . . . . ?
C10 C11 C12 N13 0.1(2) . . . . ?
C10 C11 C12 C21 179.2(2) . . . . ?
C8 N14 C15 C16 -0.59(19) . . . . ?
B22 N14 C15 C16 179.92(16) . . . . ?
C8 N14 C15 C18 177.58(15) . . . . ?
B22 N14 C15 C18 -1.9(3) . . . . ?
N14 C15 C16 C17 0.6(2) . . . . ?
C18 C15 C16 C17 -177.47(18) . . . . ?
C15 C16 C17 C8 -0.3(2) . . . . ?
C15 C16 C17 C19 179.8(2) . . . . ?
N14 C8 C17 C16 -0.1(2) . . . . ?
C7 C8 C17 C16 178.92(18) . . . . ?
N14 C8 C17 C19 179.8(2) . . . . ?
C7 C8 C17 C19 -1.2(3) . . . . ?
N14 C15 C18 C25 177.98(17) . . . . ?
C16 C15 C18 C25 -4.3(3) . . . . ?
C15 C18 C25 C26 179.50(16) . . . . ?
C18 C25 C26 C31 -173.36(18) . . . . ?
C18 C25 C26 C27 6.2(3) . . . . ?
C31 C26 C27 C28 -1.6(3) . . . . ?
C25 C26 C27 C28 178.85(18) . . . . ?
C26 C27 C28 C29 -0.1(3) . . . . ?
C27 C28 C29 C30 1.9(3) . . . . ?
C27 C28 C29 O32 178.58(17) . . . . ?
C33 O32 C29 C30 -67.2(3) . . . . ?
C33 O32 C29 C28 116.1(2) . . . . ?
C28 C29 C30 C31 -1.9(3) . . . . ?
O32 C29 C30 C31 -178.45(18) . . . . ?
C29 C30 C31 C26 0.1(3) . . . . ?
C27 C26 C31 C30 1.6(3) . . . . ?
C25 C26 C31 C30 -178.87(19) . . . . ?
C29 O32 C33 O34 9.8(3) . . . . ?
C29 O32 C33 C35 -172.47(19) . . . . ?
O34 C33 C35 C36 -14.3(4) . . . . ?
O32 C33 C35 C36 168.1(3) . . . . ?
C12 N13 B22 F23 -60.9(2) . . . . ?
C9 N13 B22 F23 117.78(18) . . . . ?
C12 N13 B22 F24 59.4(2) . . . . ?
C9 N13 B22 F24 -121.97(18) . . . . ?
C12 N13 B22 N14 178.88(16) . . . . ?
C9 N13 B22 N14 -2.5(2) . . . . ?
C15 N14 B22 F23 60.2(2) . . . . ?
C8 N14 B22 F23 -119.16(17) . . . . ?
C15 N14 B22 F24 -59.5(2) . . . . ?
C8 N14 B22 F24 121.06(17) . . . . ?
C15 N14 B22 N13 -179.21(14) . . . . ?
C8 N14 B22 N13 1.4(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        27.22
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         0.521
_refine_diff_density_min         -0.325
_refine_diff_density_rms         0.035
