# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2014

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#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
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#  data retrieval see:
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data_yann1
_audit_creation_date             2014-07-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.06.27 svn.r2953 for OlexSys, GUI svn.r4855)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C30 H18 B N7 O'
_chemical_formula_sum            'C30 H18 B N7 O'
_chemical_formula_weight         503.32
_chemical_compound_source        'synthesis as described'
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_number_in_cell
C 60
H 36
B 2
N 14
O 2

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

_symmetry_Int_Tables_number      2
_cell_length_a                   10.1660(4)
_cell_length_b                   10.7702(3)
_cell_length_c                   11.7522(5)
_cell_angle_alpha                86.6531(19)
_cell_angle_beta                 78.2796(19)
_cell_angle_gamma                66.1999(18)
_cell_volume                     1152.38(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9714
_cell_measurement_temperature    115
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      0.998
_cell_measurement_wavelength     0.71073
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.092
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             520
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.07
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0269
_diffrn_reflns_av_unetI/netI     0.0371
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9428
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.413
_diffrn_reflns_theta_min         3.172
_diffrn_ambient_temperature      115
_diffrn_detector                 'CCD Plate'
_diffrn_detector_area_resol_mean '512 x 512'
_diffrn_detector_type            APEX2
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Nonius Kappa Apex II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_collimation    '0.6 mm'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'X-ray tube'
_diffrn_source_target            Mo
_diffrn_source_type              'Siemens KFF Mo 2K-180'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4180
_reflns_number_total             5191
_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       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction        
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_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         0.284
_refine_diff_density_min         -0.260
_refine_diff_density_rms         0.049
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     358
_refine_ls_number_reflns         5191
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0670
_refine_ls_R_factor_gt           0.0486
_refine_ls_restrained_S_all      1.084
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0118P)²+1.0593P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0920
_refine_ls_wR_factor_ref         0.1024
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H,H) groups
2. Restrained distances
 N7-H7B \\sim N7-H7A
 with sigma of 0.02
3.a Aromatic/amide H refined with riding coordinates:
 C13(H13), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C19(H19),
 C20(H20), C21(H21), C22(H22), C23(H23), C24(H24), C26(H26), C27(H27), C29(H29),
  C30(H30)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_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
C1 C 0.39986(18) 0.09407(16) 0.20573(15) 0.0203(4) Uani 1 1 d . . . . .
C2 C 0.41018(19) 0.16496(17) 0.09673(15) 0.0213(4) Uani 1 1 d . . . . .
C3 C 0.31105(18) 0.14900(16) 0.03449(15) 0.0200(3) Uani 1 1 d . . . . .
C4 C 0.24180(19) 0.06821(16) 0.10544(15) 0.0204(3) Uani 1 1 d . . . . .
C5 C 0.16062(18) -0.10143(17) 0.15050(15) 0.0205(4) Uani 1 1 d . . . . .
C6 C 0.14158(19) -0.22412(17) 0.12860(15) 0.0209(4) Uani 1 1 d . . . . .
C7 C 0.19046(18) -0.31589(17) 0.21812(15) 0.0208(4) Uani 1 1 d . . . . .
C8 C 0.23920(19) -0.24789(17) 0.29434(15) 0.0202(3) Uani 1 1 d . . . . .
C9 C 0.40109(19) -0.22496(17) 0.39382(15) 0.0200(3) Uani 1 1 d . . . . .
C10 C 0.54129(19) -0.26647(17) 0.43042(15) 0.0205(4) Uani 1 1 d . . . . .
C11 C 0.58974(19) -0.15927(17) 0.40289(15) 0.0212(4) Uani 1 1 d . . . . .
C12 C 0.47941(19) -0.05326(17) 0.35022(15) 0.0206(4) Uani 1 1 d . . . . .
C13 C 0.49574(19) 0.23608(17) 0.04947(16) 0.0239(4) Uani 1 1 d . . . . .
H13 H 0.5649 0.2440 0.0890 0.029 Uiso 1 1 calc R . . . .
C14 C 0.4763(2) 0.29493(19) -0.05747(17) 0.0276(4) Uani 1 1 d . . . . .
H14 H 0.5295 0.3478 -0.0898 0.033 Uiso 1 1 calc R . . . .
C15 C 0.3797(2) 0.27795(18) -0.11878(16) 0.0269(4) Uani 1 1 d . . . . .
H15 H 0.3696 0.3190 -0.1920 0.032 Uiso 1 1 calc R . . . .
C16 C 0.29866(19) 0.20276(17) -0.07516(16) 0.0228(4) Uani 1 1 d . . . . .
H16 H 0.2366 0.1884 -0.1187 0.027 Uiso 1 1 calc R . . . .
C17 C 0.09966(19) -0.26308(18) 0.03544(16) 0.0238(4) Uani 1 1 d . . . . .
H17 H 0.0705 -0.2029 -0.0258 0.029 Uiso 1 1 calc R . . . .
C18 C 0.1020(2) -0.39278(18) 0.03514(17) 0.0269(4) Uani 1 1 d . . . . .
H18 H 0.0715 -0.4210 -0.0263 0.032 Uiso 1 1 calc R . . . .
C19 C 0.1484(2) -0.48283(18) 0.12365(17) 0.0258(4) Uani 1 1 d . . . . .
H19 H 0.1475 -0.5705 0.1215 0.031 Uiso 1 1 calc R . . . .
C20 C 0.1956(2) -0.44686(17) 0.21445(16) 0.0237(4) Uani 1 1 d . . . . .
H20 H 0.2305 -0.5099 0.2725 0.028 Uiso 1 1 calc R . . . .
C21 C 0.6316(2) -0.38779(18) 0.47340(15) 0.0234(4) Uani 1 1 d . . . . .
H21 H 0.6009 -0.4603 0.4914 0.028 Uiso 1 1 calc R . . . .
C22 C 0.7675(2) -0.39922(19) 0.48901(16) 0.0277(4) Uani 1 1 d . . . . .
H22 H 0.8300 -0.4807 0.5190 0.033 Uiso 1 1 calc R . . . .
C23 C 0.8148(2) -0.29443(19) 0.46195(17) 0.0289(4) Uani 1 1 d . . . . .
H23 H 0.9086 -0.3058 0.4741 0.035 Uiso 1 1 calc R . . . .
C24 C 0.7277(2) -0.17400(19) 0.41773(17) 0.0268(4) Uani 1 1 d . . . . .
H24 H 0.7611 -0.1034 0.3981 0.032 Uiso 1 1 calc R . . . .
C25 C -0.01249(18) 0.15499(17) 0.35772(15) 0.0206(4) Uani 1 1 d . . . . .
C26 C -0.0361(2) 0.28388(18) 0.31527(16) 0.0237(4) Uani 1 1 d . . . . .
H26 H 0.0371 0.3186 0.3102 0.028 Uiso 1 1 calc R . . . .
C27 C -0.1674(2) 0.36170(19) 0.28031(16) 0.0280(4) Uani 1 1 d . . . . .
H27 H -0.1833 0.4497 0.2512 0.034 Uiso 1 1 calc R . . . .
C28 C -0.2756(2) 0.31229(19) 0.28749(16) 0.0268(4) Uani 1 1 d . . . . .
C29 C -0.2490(2) 0.1820(2) 0.32665(17) 0.0278(4) Uani 1 1 d . . . . .
H29 H -0.3204 0.1455 0.3289 0.033 Uiso 1 1 calc R . . . .
C30 C -0.1186(2) 0.10458(18) 0.36256(16) 0.0249(4) Uani 1 1 d . . . . .
H30 H -0.1022 0.0161 0.3907 0.030 Uiso 1 1 calc R . . . .
N1 N 0.28811(16) 0.05377(14) 0.20863(13) 0.0200(3) Uani 1 1 d . . . . .
N2 N 0.20185(15) -0.11813(14) 0.25612(13) 0.0192(3) Uani 1 1 d . . . . .
N3 N 0.36602(16) -0.09333(14) 0.36037(13) 0.0196(3) Uani 1 1 d . . . . .
N4 N 0.49189(16) 0.04718(14) 0.28072(13) 0.0217(3) Uani 1 1 d . . . . .
N5 N 0.17016(16) -0.00309(14) 0.07757(13) 0.0209(3) Uani 1 1 d . . . . .
N6 N 0.33314(16) -0.30054(14) 0.36750(12) 0.0204(3) Uani 1 1 d . . . . .
O O 0.11630(13) 0.07762(12) 0.39619(10) 0.0213(3) Uani 1 1 d . . . . .
B B 0.2331(2) -0.01362(19) 0.31136(17) 0.0203(4) Uani 1 1 d . . . . .
N7 N -0.4092(2) 0.39105(19) 0.25172(17) 0.0380(4) Uani 1 1 d . . . . .
H7A H -0.442(3) 0.4856(19) 0.266(2) 0.046 Uiso 1 1 d R . . . .
H7B H -0.485(2) 0.360(2) 0.286(2) 0.046 Uiso 1 1 d R . . . .


_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
C1 C2 1.460(2) . ?
C1 N1 1.364(2) . ?
C1 N4 1.345(2) . ?
C2 C3 1.426(2) . ?
C2 C13 1.394(2) . ?
C3 C4 1.456(2) . ?
C3 C16 1.390(2) . ?
C4 N1 1.367(2) . ?
C4 N5 1.344(2) . ?
C5 C6 1.455(2) . ?
C5 N2 1.369(2) . ?
C5 N5 1.345(2) . ?
C6 C7 1.423(2) . ?
C6 C17 1.394(2) . ?
C7 C8 1.461(2) . ?
C7 C20 1.393(2) . ?
C8 N2 1.366(2) . ?
C8 N6 1.346(2) . ?
C9 C10 1.459(2) . ?
C9 N3 1.369(2) . ?
C9 N6 1.344(2) . ?
C10 C11 1.425(2) . ?
C10 C21 1.396(2) . ?
C11 C12 1.453(2) . ?
C11 C24 1.392(2) . ?
C12 N3 1.367(2) . ?
C12 N4 1.349(2) . ?
C13 H13 0.9500 . ?
C13 C14 1.388(3) . ?
C14 H14 0.9500 . ?
C14 C15 1.402(3) . ?
C15 H15 0.9500 . ?
C15 C16 1.384(3) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C17 C18 1.388(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.399(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.388(3) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C21 C22 1.386(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.393(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.385(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.390(2) . ?
C25 C30 1.381(3) . ?
C25 O 1.389(2) . ?
C26 H26 0.9500 . ?
C26 C27 1.390(2) . ?
C27 H27 0.9500 . ?
C27 C28 1.389(3) . ?
C28 C29 1.387(3) . ?
C28 N7 1.414(2) . ?
C29 H29 0.9500 . ?
C29 C30 1.387(2) . ?
C30 H30 0.9500 . ?
N1 B 1.499(2) . ?
N2 B 1.499(2) . ?
N3 B 1.489(2) . ?
O B 1.436(2) . ?
N7 H7A 0.949(18) . ?
N7 H7B 0.964(19) . ?

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
N1 C1 C2 105.51(15) . . ?
N4 C1 C2 131.35(16) . . ?
N4 C1 N1 121.78(16) . . ?
C3 C2 C1 107.01(15) . . ?
C13 C2 C1 132.23(17) . . ?
C13 C2 C3 120.75(16) . . ?
C2 C3 C4 107.22(15) . . ?
C16 C3 C2 120.77(16) . . ?
C16 C3 C4 131.98(17) . . ?
N1 C4 C3 105.49(15) . . ?
N5 C4 C3 131.05(16) . . ?
N5 C4 N1 122.37(16) . . ?
N2 C5 C6 105.63(14) . . ?
N5 C5 C6 129.83(16) . . ?
N5 C5 N2 123.06(16) . . ?
C7 C6 C5 107.36(15) . . ?
C17 C6 C5 131.16(16) . . ?
C17 C6 C7 121.17(16) . . ?
C6 C7 C8 106.87(15) . . ?
C20 C7 C6 120.09(16) . . ?
C20 C7 C8 132.80(16) . . ?
N2 C8 C7 105.69(14) . . ?
N6 C8 C7 130.01(15) . . ?
N6 C8 N2 122.35(16) . . ?
N3 C9 C10 105.39(15) . . ?
N6 C9 C10 129.98(15) . . ?
N6 C9 N3 122.68(15) . . ?
C11 C10 C9 107.02(14) . . ?
C21 C10 C9 132.40(17) . . ?
C21 C10 C11 120.27(16) . . ?
C10 C11 C12 107.39(15) . . ?
C24 C11 C10 120.69(16) . . ?
C24 C11 C12 131.59(17) . . ?
N3 C12 C11 105.53(15) . . ?
N4 C12 C11 129.40(16) . . ?
N4 C12 N3 123.35(15) . . ?
C2 C13 H13 121.2 . . ?
C14 C13 C2 117.58(17) . . ?
C14 C13 H13 121.2 . . ?
C13 C14 H14 119.3 . . ?
C13 C14 C15 121.40(18) . . ?
C15 C14 H14 119.3 . . ?
C14 C15 H15 119.2 . . ?
C16 C15 C14 121.59(17) . . ?
C16 C15 H15 119.2 . . ?
C3 C16 H16 121.1 . . ?
C15 C16 C3 117.77(17) . . ?
C15 C16 H16 121.1 . . ?
C6 C17 H17 121.1 . . ?
C18 C17 C6 117.74(16) . . ?
C18 C17 H17 121.1 . . ?
C17 C18 H18 119.4 . . ?
C17 C18 C19 121.26(17) . . ?
C19 C18 H18 119.4 . . ?
C18 C19 H19 119.3 . . ?
C20 C19 C18 121.45(17) . . ?
C20 C19 H19 119.3 . . ?
C7 C20 H20 120.9 . . ?
C19 C20 C7 118.21(16) . . ?
C19 C20 H20 120.9 . . ?
C10 C21 H21 121.0 . . ?
C22 C21 C10 117.94(17) . . ?
C22 C21 H21 121.0 . . ?
C21 C22 H22 119.1 . . ?
C21 C22 C23 121.76(17) . . ?
C23 C22 H22 119.1 . . ?
C22 C23 H23 119.4 . . ?
C24 C23 C22 121.17(18) . . ?
C24 C23 H23 119.4 . . ?
C11 C24 H24 120.9 . . ?
C23 C24 C11 118.15(18) . . ?
C23 C24 H24 120.9 . . ?
C30 C25 C26 119.58(16) . . ?
C30 C25 O 120.03(15) . . ?
O C25 C26 120.39(16) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 C25 119.73(18) . . ?
C27 C26 H26 120.1 . . ?
C26 C27 H27 119.6 . . ?
C28 C27 C26 120.76(17) . . ?
C28 C27 H27 119.6 . . ?
C27 C28 N7 120.92(18) . . ?
C29 C28 C27 119.00(17) . . ?
C29 C28 N7 120.04(19) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 C28 120.30(18) . . ?
C30 C29 H29 119.9 . . ?
C25 C30 C29 120.58(17) . . ?
C25 C30 H30 119.7 . . ?
C29 C30 H30 119.7 . . ?
C1 N1 C4 113.55(15) . . ?
C1 N1 B 122.80(15) . . ?
C4 N1 B 123.34(15) . . ?
C5 N2 B 122.89(14) . . ?
C8 N2 C5 113.05(14) . . ?
C8 N2 B 122.88(14) . . ?
C9 N3 B 123.01(15) . . ?
C12 N3 C9 113.35(14) . . ?
C12 N3 B 121.95(14) . . ?
C1 N4 C12 116.79(15) . . ?
C4 N5 C5 116.49(15) . . ?
C9 N6 C8 117.34(14) . . ?
C25 O B 115.89(13) . . ?
N2 B N1 102.91(14) . . ?
N3 B N1 104.04(14) . . ?
N3 B N2 104.56(14) . . ?
O B N1 114.80(14) . . ?
O B N2 116.90(15) . . ?
O B N3 112.23(15) . . ?
C28 N7 H7A 113.6(15) . . ?
C28 N7 H7B 111.5(14) . . ?
H7A N7 H7B 110(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
C1 C2 C3 C4 -0.29(18) . . . . ?
C1 C2 C3 C16 -178.31(15) . . . . ?
C1 C2 C13 C14 -178.73(17) . . . . ?
C1 N1 B N2 -141.62(15) . . . . ?
C1 N1 B N3 -32.8(2) . . . . ?
C1 N1 B O 90.27(19) . . . . ?
C2 C1 N1 C4 11.20(18) . . . . ?
C2 C1 N1 B -175.01(14) . . . . ?
C2 C1 N4 C12 -157.23(17) . . . . ?
C2 C3 C4 N1 6.67(18) . . . . ?
C2 C3 C4 N5 -161.27(17) . . . . ?
C2 C3 C16 C15 -3.3(2) . . . . ?
C2 C13 C14 C15 -3.2(3) . . . . ?
C3 C2 C13 C14 2.6(2) . . . . ?
C3 C4 N1 C1 -11.38(18) . . . . ?
C3 C4 N1 B 174.86(14) . . . . ?
C3 C4 N5 C5 158.77(17) . . . . ?
C4 C3 C16 C15 179.20(17) . . . . ?
C4 N1 B N2 31.6(2) . . . . ?
C4 N1 B N3 140.42(15) . . . . ?
C4 N1 B O -96.54(19) . . . . ?
C5 C6 C7 C8 0.00(19) . . . . ?
C5 C6 C7 C20 -175.05(16) . . . . ?
C5 C6 C17 C18 175.17(18) . . . . ?
C5 N2 B N1 -29.8(2) . . . . ?
C5 N2 B N3 -138.25(16) . . . . ?
C5 N2 B O 97.0(2) . . . . ?
C6 C5 N2 C8 12.03(19) . . . . ?
C6 C5 N2 B 179.91(15) . . . . ?
C6 C5 N5 C4 -155.03(17) . . . . ?
C6 C7 C8 N2 6.91(19) . . . . ?
C6 C7 C8 N6 -157.13(18) . . . . ?
C6 C7 C20 C19 -1.7(3) . . . . ?
C6 C17 C18 C19 -1.6(3) . . . . ?
C7 C6 C17 C18 2.3(3) . . . . ?
C7 C8 N2 C5 -12.03(19) . . . . ?
C7 C8 N2 B -179.91(15) . . . . ?
C7 C8 N6 C9 155.51(18) . . . . ?
C8 C7 C20 C19 -175.26(18) . . . . ?
C8 N2 B N1 136.91(16) . . . . ?
C8 N2 B N3 28.4(2) . . . . ?
C8 N2 B O -96.31(19) . . . . ?
C9 C10 C11 C12 0.15(19) . . . . ?
C9 C10 C11 C24 -174.07(16) . . . . ?
C9 C10 C21 C22 173.35(18) . . . . ?
C9 N3 B N1 -134.67(16) . . . . ?
C9 N3 B N2 -27.0(2) . . . . ?
C9 N3 B O 100.62(19) . . . . ?
C10 C9 N3 C12 11.69(19) . . . . ?
C10 C9 N3 B 177.09(15) . . . . ?
C10 C9 N6 C8 -154.04(18) . . . . ?
C10 C11 C12 N3 6.55(19) . . . . ?
C10 C11 C12 N4 -158.61(17) . . . . ?
C10 C11 C24 C23 -1.2(3) . . . . ?
C10 C21 C22 C23 -0.7(3) . . . . ?
C11 C10 C21 C22 0.6(3) . . . . ?
C11 C12 N3 C9 -11.61(19) . . . . ?
C11 C12 N3 B -177.18(15) . . . . ?
C11 C12 N4 C1 152.39(17) . . . . ?
C12 C11 C24 C23 -173.82(18) . . . . ?
C12 N3 B N1 29.5(2) . . . . ?
C12 N3 B N2 137.13(16) . . . . ?
C12 N3 B O -95.20(19) . . . . ?
C13 C2 C3 C4 178.70(15) . . . . ?
C13 C2 C3 C16 0.7(2) . . . . ?
C13 C14 C15 C16 0.5(3) . . . . ?
C14 C15 C16 C3 2.8(3) . . . . ?
C16 C3 C4 N1 -175.61(17) . . . . ?
C16 C3 C4 N5 16.4(3) . . . . ?
C17 C6 C7 C8 174.35(16) . . . . ?
C17 C6 C7 C20 -0.7(3) . . . . ?
C17 C18 C19 C20 -0.8(3) . . . . ?
C18 C19 C20 C7 2.5(3) . . . . ?
C20 C7 C8 N2 -178.92(19) . . . . ?
C20 C7 C8 N6 17.0(3) . . . . ?
C21 C10 C11 C12 174.58(16) . . . . ?
C21 C10 C11 C24 0.4(3) . . . . ?
C21 C22 C23 C24 -0.2(3) . . . . ?
C22 C23 C24 C11 1.1(3) . . . . ?
C24 C11 C12 N3 179.90(19) . . . . ?
C24 C11 C12 N4 14.7(3) . . . . ?
C25 C26 C27 C28 0.1(3) . . . . ?
C25 O B N1 62.1(2) . . . . ?
C25 O B N2 -58.6(2) . . . . ?
C25 O B N3 -179.39(14) . . . . ?
C26 C25 C30 C29 -0.7(3) . . . . ?
C26 C25 O B -92.77(19) . . . . ?
C26 C27 C28 C29 -2.1(3) . . . . ?
C26 C27 C28 N7 -179.83(18) . . . . ?
C27 C28 C29 C30 2.6(3) . . . . ?
C28 C29 C30 C25 -1.3(3) . . . . ?
C30 C25 C26 C27 1.3(3) . . . . ?
C30 C25 O B 87.9(2) . . . . ?
N1 C1 C2 C3 -6.21(18) . . . . ?
N1 C1 C2 C13 174.96(18) . . . . ?
N1 C1 N4 C12 7.4(2) . . . . ?
N1 C4 N5 C5 -7.4(2) . . . . ?
N2 C5 C6 C7 -6.90(19) . . . . ?
N2 C5 C6 C17 179.53(18) . . . . ?
N2 C5 N5 C4 9.0(2) . . . . ?
N2 C8 N6 C9 -6.2(2) . . . . ?
N3 C9 C10 C11 -6.78(18) . . . . ?
N3 C9 C10 C21 179.74(18) . . . . ?
N3 C9 N6 C8 7.7(2) . . . . ?
N3 C12 N4 C1 -10.4(2) . . . . ?
N4 C1 C2 C3 160.28(17) . . . . ?
N4 C1 C2 C13 -18.5(3) . . . . ?
N4 C1 N1 C4 -156.90(15) . . . . ?
N4 C1 N1 B 16.9(2) . . . . ?
N4 C12 N3 C9 154.69(16) . . . . ?
N4 C12 N3 B -10.9(3) . . . . ?
N5 C4 N1 C1 157.87(15) . . . . ?
N5 C4 N1 B -15.9(2) . . . . ?
N5 C5 C6 C7 159.28(17) . . . . ?
N5 C5 C6 C17 -14.3(3) . . . . ?
N5 C5 N2 C8 -155.33(16) . . . . ?
N5 C5 N2 B 12.5(3) . . . . ?
N6 C8 N2 C5 153.53(16) . . . . ?
N6 C8 N2 B -14.3(3) . . . . ?
N6 C9 C10 C11 157.31(18) . . . . ?
N6 C9 C10 C21 -16.2(3) . . . . ?
N6 C9 N3 C12 -153.87(16) . . . . ?
N6 C9 N3 B 11.5(3) . . . . ?
O C25 C26 C27 -178.09(16) . . . . ?
O C25 C30 C29 178.66(16) . . . . ?
N7 C28 C29 C30 -179.57(18) . . . . ?

_olex2_exptl_crystal_mounting_method 'The crystal was mounted on a mylar loop'
_olex2_submission_special_instructions 'No special instructions were received'
_database_code_depnum_ccdc_archive 'CCDC 1014064'
