# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 2031426'
loop_
_audit_author_name
_audit_author_address
'Ju-You Lu'
;Hainan University
China
;
_audit_update_record             
;
2020-09-11 deposited with the CCDC.	2021-01-11 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            'C13 H19 B10 N'
_chemical_formula_weight         297.39

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'

_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                   6.5832(2)
_cell_length_b                   12.9279(4)
_cell_length_c                   19.4223(7)
_cell_angle_alpha                90
_cell_angle_beta                 92.067(3)
_cell_angle_gamma                90
_cell_volume                     1651.90(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    180.00(10)
_cell_measurement_reflns_used    4392
_cell_measurement_theta_min      2.6290
_cell_measurement_theta_max      28.8610

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.196
_exptl_crystal_F_000             616
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.21
_exptl_absorpt_coefficient_mu    0.060
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.89345
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.29a (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      180.00(10)
_diffrn_ambient_environment      N~2~
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_detector                 'CCD plate'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            10939
_diffrn_reflns_av_unetI/netI     0.0311
_diffrn_reflns_av_R_equivalents  0.0236
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.624
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             3782
_reflns_number_gt                2989
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0686P)²+1.2630P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3782
_refine_ls_number_parameters     242
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0774
_refine_ls_R_factor_gt           0.0631
_refine_ls_wR_factor_ref         0.1673
_refine_ls_wR_factor_gt          0.1578
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_restrained_S_all      1.020
_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
C1 C 0.5198(2) 0.57884(13) 0.27062(9) 0.0252(4) Uani 1 1 d . . . . .
C2 C 0.6528(3) 0.67700(14) 0.24325(9) 0.0289(4) Uani 1 1 d . . . . .
H2 H 0.782(3) 0.6926(17) 0.2753(10) 0.035 Uiso 1 1 d . U . . .
C19A C 0.5880(2) 0.52767(12) 0.33309(8) 0.0318(4) Uani 0.820(3) 1 d G . P A 1
C20A C 0.4768(2) 0.45487(13) 0.36851(9) 0.0392(6) Uani 0.820(3) 1 d G . P A 1
H20A H 0.3456 0.4379 0.3531 0.047 Uiso 0.820(3) 1 calc R U P A 1
C21A C 0.5614(3) 0.40751(13) 0.42704(9) 0.0502(8) Uani 0.820(3) 1 d G . P A 1
H21A H 0.4870 0.3588 0.4507 0.060 Uiso 0.820(3) 1 calc R U P A 1
C22A C 0.7574(3) 0.43295(15) 0.45014(8) 0.0611(10) Uani 0.820(3) 1 d G . P A 1
H22A H 0.8141 0.4013 0.4893 0.073 Uiso 0.820(3) 1 calc R U P A 1
C23A C 0.8687(2) 0.50575(15) 0.41473(9) 0.0556(8) Uani 0.820(3) 1 d G . P A 1
H23A H 0.9998 0.5228 0.4302 0.067 Uiso 0.820(3) 1 calc R U P A 1
N24A N 0.7840(2) 0.55311(12) 0.35620(8) 0.0391(5) Uani 0.820(3) 1 d G . P A 1
C19B C 0.5844(12) 0.5270(6) 0.3403(4) 0.0318(4) Uani 0.180(3) 1 d G . P A 2
N20B N 0.4085(10) 0.4904(6) 0.3694(4) 0.0392(6) Uani 0.180(3) 1 d G . P A 2
C21B C 0.4215(14) 0.4303(7) 0.4287(4) 0.0502(8) Uani 0.180(3) 1 d G . P A 2
H21B H 0.3038 0.4058 0.4482 0.060 Uiso 0.180(3) 1 calc R U P A 2
C22B C 0.6105(17) 0.4070(8) 0.4591(4) 0.0611(10) Uani 0.180(3) 1 d G . P A 2
H22B H 0.6192 0.3669 0.4988 0.073 Uiso 0.180(3) 1 calc R U P A 2
C23B C 0.7864(13) 0.4437(9) 0.4300(5) 0.0556(8) Uani 0.180(3) 1 d G . P A 2
H23B H 0.9128 0.4281 0.4503 0.067 Uiso 0.180(3) 1 calc R U P A 2
C24B C 0.7734(11) 0.5037(8) 0.3706(5) 0.0391(5) Uani 0.180(3) 1 d G . P A 2
H24B H 0.8911 0.5283 0.3512 0.047 Uiso 0.180(3) 1 calc R U P A 2
C13 C 0.4102(3) 0.75531(13) 0.35188(9) 0.0282(4) Uani 1 1 d . . . . .
C14 C 0.5759(3) 0.80800(15) 0.38264(10) 0.0385(5) Uani 1 1 d . . . . .
H14 H 0.6985 0.8098 0.3604 0.046 Uiso 1 1 calc R U . . .
C15 C 0.5610(4) 0.85758(17) 0.44556(11) 0.0473(5) Uani 1 1 d . . . . .
H15 H 0.6735 0.8913 0.4654 0.057 Uiso 1 1 calc R U . . .
C16 C 0.3796(4) 0.85692(16) 0.47871(10) 0.0482(6) Uani 1 1 d . . . . .
H16 H 0.3689 0.8908 0.5207 0.058 Uiso 1 1 calc R U . . .
C17 C 0.2143(4) 0.80603(17) 0.44957(10) 0.0445(5) Uani 1 1 d . . . . .
H17 H 0.0919 0.8056 0.4720 0.053 Uiso 1 1 calc R U . . .
C18 C 0.2287(3) 0.75529(15) 0.38683(9) 0.0350(4) Uani 1 1 d . . . . .
H18 H 0.1159 0.7209 0.3679 0.042 Uiso 1 1 calc R U . . .
B3 B 0.4217(3) 0.70416(15) 0.27931(10) 0.0252(4) Uani 1 1 d . . . . .
B4 B 0.2713(3) 0.59718(16) 0.25038(10) 0.0282(4) Uani 1 1 d . . . . .
H4 H 0.169(3) 0.5669(16) 0.2849(10) 0.034 Uiso 1 1 d . U . . .
B5 B 0.4167(3) 0.50961(16) 0.20261(11) 0.0304(4) Uani 1 1 d . . . . .
H5 H 0.395(3) 0.4279(17) 0.2106(10) 0.037 Uiso 1 1 d . U . . .
B6 B 0.6661(3) 0.56101(16) 0.19950(10) 0.0293(4) Uani 1 1 d . . . . .
H6 H 0.800(3) 0.5151(17) 0.2074(10) 0.035 Uiso 1 1 d . U . . .
B7 B 0.6514(3) 0.68103(17) 0.15573(10) 0.0303(4) Uani 1 1 d . . . . .
H7 H 0.785(3) 0.7071(17) 0.1300(10) 0.036 Uiso 1 1 d . U . . .
B8 B 0.5015(3) 0.76791(16) 0.20365(10) 0.0292(4) Uani 1 1 d . . . . .
H8 H 0.545(3) 0.8487(16) 0.2084(10) 0.035 Uiso 1 1 d . U . . .
B9 B 0.2518(3) 0.71578(17) 0.20667(10) 0.0302(4) Uani 1 1 d . . . . .
H9 H 0.115(3) 0.7631(17) 0.2107(10) 0.036 Uiso 1 1 d . U . . .
B10 B 0.2481(3) 0.59728(18) 0.15971(11) 0.0319(4) Uani 1 1 d . . . . .
H10 H 0.118(3) 0.5698(17) 0.1336(11) 0.038 Uiso 1 1 d . U . . .
B11 B 0.4955(3) 0.57529(17) 0.12814(10) 0.0313(4) Uani 1 1 d . . . . .
H11 H 0.517(3) 0.5335(17) 0.0803(11) 0.038 Uiso 1 1 d . U . . .
B12 B 0.3930(3) 0.70329(17) 0.13035(11) 0.0318(4) Uani 1 1 d . . . . .
H12 H 0.347(3) 0.7446(17) 0.0831(11) 0.038 Uiso 1 1 d . U . . .


_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 C19A 1.440(2) . ?
C1 C19B 1.555(6) . ?
C1 C2 1.641(2) . ?
C1 B4 1.686(3) . ?
C1 B5 1.715(3) . ?
C1 B6 1.728(2) . ?
C1 B3 1.754(2) . ?
C2 B7 1.700(3) . ?
C2 B8 1.706(3) . ?
C2 B6 1.727(3) . ?
C2 B3 1.734(3) . ?
C2 H2 1.05(2) . ?
C19A C20A 1.3900 . ?
C19A N24A 1.3900 . ?
C20A C21A 1.3900 . ?
C20A H20A 0.9300 . ?
C21A C22A 1.3900 . ?
C21A H21A 0.9300 . ?
C22A C23A 1.3900 . ?
C22A H22A 0.9300 . ?
C23A N24A 1.3900 . ?
C23A H23A 0.9300 . ?
C19B N20B 1.3900 . ?
C19B C24B 1.3900 . ?
N20B C21B 1.3900 . ?
C21B C22B 1.3900 . ?
C21B H21B 0.9300 . ?
C22B C23B 1.3900 . ?
C22B H22B 0.9300 . ?
C23B C24B 1.3900 . ?
C23B H23B 0.9300 . ?
C24B H24B 0.9300 . ?
C13 C18 1.396(3) . ?
C13 C14 1.401(3) . ?
C13 B3 1.561(2) . ?
C14 C15 1.387(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.377(3) . ?
C15 H15 0.9300 . ?
C16 C17 1.376(3) . ?
C16 H16 0.9300 . ?
C17 C18 1.390(3) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
B3 B9 1.775(3) . ?
B3 B4 1.780(3) . ?
B3 B8 1.781(3) . ?
B4 B9 1.755(3) . ?
B4 B10 1.762(3) . ?
B4 B5 1.767(3) . ?
B4 H4 1.04(2) . ?
B5 B11 1.771(3) . ?
B5 B10 1.773(3) . ?
B5 B6 1.774(3) . ?
B5 H5 1.08(2) . ?
B6 B11 1.762(3) . ?
B6 B7 1.770(3) . ?
B6 H6 1.07(2) . ?
B7 B12 1.778(3) . ?
B7 B8 1.780(3) . ?
B7 B11 1.781(3) . ?
B7 H7 1.08(2) . ?
B8 B12 1.778(3) . ?
B8 B9 1.780(3) . ?
B8 H8 1.09(2) . ?
B9 B10 1.783(3) . ?
B9 B12 1.785(3) . ?
B9 H9 1.09(2) . ?
B10 B12 1.775(3) . ?
B10 B11 1.783(3) . ?
B10 H10 1.04(2) . ?
B11 B12 1.788(3) . ?
B11 H11 1.09(2) . ?
B12 H12 1.09(2) . ?

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
C19A C1 C2 118.32(14) . . ?
C19B C1 C2 118.8(3) . . ?
C19A C1 B4 122.13(14) . . ?
C19B C1 B4 119.7(3) . . ?
C2 C1 B4 109.91(14) . . ?
C19A C1 B5 120.80(14) . . ?
C19B C1 B5 122.2(4) . . ?
C2 C1 B5 110.79(13) . . ?
B4 C1 B5 62.62(11) . . ?
C19A C1 B6 116.53(14) . . ?
C19B C1 B6 119.7(3) . . ?
C2 C1 B6 61.63(11) . . ?
B4 C1 B6 113.37(14) . . ?
B5 C1 B6 62.04(11) . . ?
C19A C1 B3 116.61(14) . . ?
C19B C1 B3 113.8(4) . . ?
C2 C1 B3 61.30(10) . . ?
B4 C1 B3 62.28(11) . . ?
B5 C1 B3 114.78(14) . . ?
B6 C1 B3 114.71(13) . . ?
C1 C2 B7 111.33(14) . . ?
C1 C2 B8 111.66(14) . . ?
B7 C2 B8 63.00(12) . . ?
C1 C2 B6 61.65(11) . . ?
B7 C2 B6 62.18(12) . . ?
B8 C2 B6 114.54(14) . . ?
C1 C2 B3 62.57(10) . . ?
B7 C2 B3 115.11(14) . . ?
B8 C2 B3 62.35(11) . . ?
B6 C2 B3 115.80(14) . . ?
C1 C2 H2 112.6(11) . . ?
B7 C2 H2 124.0(11) . . ?
B8 C2 H2 125.4(12) . . ?
B6 C2 H2 113.7(12) . . ?
B3 C2 H2 115.1(11) . . ?
C20A C19A N24A 120.0 . . ?
C20A C19A C1 125.05(12) . . ?
N24A C19A C1 114.91(12) . . ?
C19A C20A C21A 120.0 . . ?
C19A C20A H20A 120.0 . . ?
C21A C20A H20A 120.0 . . ?
C22A C21A C20A 120.0 . . ?
C22A C21A H21A 120.0 . . ?
C20A C21A H21A 120.0 . . ?
C21A C22A C23A 120.0 . . ?
C21A C22A H22A 120.0 . . ?
C23A C22A H22A 120.0 . . ?
N24A C23A C22A 120.0 . . ?
N24A C23A H23A 120.0 . . ?
C22A C23A H23A 120.0 . . ?
C23A N24A C19A 120.0 . . ?
N20B C19B C24B 120.0 . . ?
N20B C19B C1 107.1(5) . . ?
C24B C19B C1 132.4(5) . . ?
C19B N20B C21B 120.0 . . ?
C22B C21B N20B 120.0 . . ?
C22B C21B H21B 120.0 . . ?
N20B C21B H21B 120.0 . . ?
C21B C22B C23B 120.0 . . ?
C21B C22B H22B 120.0 . . ?
C23B C22B H22B 120.0 . . ?
C22B C23B C24B 120.0 . . ?
C22B C23B H23B 120.0 . . ?
C24B C23B H23B 120.0 . . ?
C23B C24B C19B 120.0 . . ?
C23B C24B H24B 120.0 . . ?
C19B C24B H24B 120.0 . . ?
C18 C13 C14 117.37(17) . . ?
C18 C13 B3 120.61(17) . . ?
C14 C13 B3 121.91(16) . . ?
C15 C14 C13 121.5(2) . . ?
C15 C14 H14 119.3 . . ?
C13 C14 H14 119.3 . . ?
C16 C15 C14 120.0(2) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C17 C16 C15 119.81(19) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C16 C17 C18 120.5(2) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 H17 119.7 . . ?
C17 C18 C13 120.9(2) . . ?
C17 C18 H18 119.6 . . ?
C13 C18 H18 119.6 . . ?
C13 B3 C2 121.48(15) . . ?
C13 B3 C1 120.53(14) . . ?
C2 B3 C1 56.12(10) . . ?
C13 B3 B9 129.21(15) . . ?
C2 B3 B9 103.48(13) . . ?
C1 B3 B9 103.02(13) . . ?
C13 B3 B4 124.73(15) . . ?
C2 B3 B4 101.62(13) . . ?
C1 B3 B4 56.96(10) . . ?
B9 B3 B4 59.17(12) . . ?
C13 B3 B8 125.05(15) . . ?
C2 B3 B8 58.05(11) . . ?
C1 B3 B8 103.13(13) . . ?
B9 B3 B8 60.08(11) . . ?
B4 B3 B8 106.05(14) . . ?
C1 B4 B9 106.81(14) . . ?
C1 B4 B10 106.34(14) . . ?
B9 B4 B10 60.91(12) . . ?
C1 B4 B5 59.51(11) . . ?
B9 B4 B5 109.71(14) . . ?
B10 B4 B5 60.31(12) . . ?
C1 B4 B3 60.76(11) . . ?
B9 B4 B3 60.27(12) . . ?
B10 B4 B3 110.00(15) . . ?
B5 B4 B3 110.96(14) . . ?
C1 B4 H4 116.1(11) . . ?
B9 B4 H4 127.0(11) . . ?
B10 B4 H4 127.5(11) . . ?
B5 B4 H4 118.0(12) . . ?
B3 B4 H4 117.0(11) . . ?
C1 B5 B4 57.87(11) . . ?
C1 B5 B11 105.04(14) . . ?
B4 B5 B11 107.56(15) . . ?
C1 B5 B10 104.59(14) . . ?
B4 B5 B10 59.70(12) . . ?
B11 B5 B10 60.42(12) . . ?
C1 B5 B6 59.32(11) . . ?
B4 B5 B6 107.30(14) . . ?
B11 B5 B6 59.61(12) . . ?
B10 B5 B6 107.99(15) . . ?
C1 B5 H5 116.9(11) . . ?
B4 B5 H5 118.3(11) . . ?
B11 B5 H5 129.2(11) . . ?
B10 B5 H5 127.5(11) . . ?
B6 B5 H5 120.1(11) . . ?
C2 B6 C1 56.72(10) . . ?
C2 B6 B11 104.71(15) . . ?
C1 B6 B11 104.89(14) . . ?
C2 B6 B7 58.16(11) . . ?
C1 B6 B7 104.16(13) . . ?
B11 B6 B7 60.54(12) . . ?
C2 B6 B5 104.19(13) . . ?
C1 B6 B5 58.64(10) . . ?
B11 B6 B5 60.10(12) . . ?
B7 B6 B5 108.07(15) . . ?
C2 B6 H6 117.8(11) . . ?
C1 B6 H6 116.0(11) . . ?
B11 B6 H6 132.1(11) . . ?
B7 B6 H6 125.9(11) . . ?
B5 B6 H6 123.1(11) . . ?
C2 B7 B6 59.66(11) . . ?
C2 B7 B12 104.64(14) . . ?
B6 B7 B12 108.07(14) . . ?
C2 B7 B8 58.65(11) . . ?
B6 B7 B8 108.89(14) . . ?
B12 B7 B8 59.98(12) . . ?
C2 B7 B11 105.05(14) . . ?
B6 B7 B11 59.50(12) . . ?
B12 B7 B11 60.33(12) . . ?
B8 B7 B11 108.50(14) . . ?
C2 B7 H7 119.8(11) . . ?
B6 B7 H7 117.6(11) . . ?
B12 B7 H7 127.5(11) . . ?
B8 B7 H7 121.4(11) . . ?
B11 B7 H7 124.8(11) . . ?
C2 B8 B12 104.39(14) . . ?
C2 B8 B7 58.35(11) . . ?
B12 B8 B7 59.95(12) . . ?
C2 B8 B9 104.44(14) . . ?
B12 B8 B9 60.23(12) . . ?
B7 B8 B9 107.97(14) . . ?
C2 B8 B3 59.60(10) . . ?
B12 B8 B3 108.73(14) . . ?
B7 B8 B3 108.98(14) . . ?
B9 B8 B3 59.80(11) . . ?
C2 B8 H8 118.5(11) . . ?
B12 B8 H8 128.1(11) . . ?
B7 B8 H8 120.2(11) . . ?
B9 B8 H8 127.0(11) . . ?
B3 B8 H8 117.3(11) . . ?
B4 B9 B3 60.56(11) . . ?
B4 B9 B8 107.17(14) . . ?
B3 B9 B8 60.13(11) . . ?
B4 B9 B10 59.74(12) . . ?
B3 B9 B10 109.29(14) . . ?
B8 B9 B10 107.69(14) . . ?
B4 B9 B12 106.94(14) . . ?
B3 B9 B12 108.68(14) . . ?
B8 B9 B12 59.84(12) . . ?
B10 B9 B12 59.68(12) . . ?
B4 B9 H9 120.1(11) . . ?
B3 B9 H9 119.2(11) . . ?
B8 B9 H9 123.6(11) . . ?
B10 B9 H9 121.5(11) . . ?
B12 B9 H9 124.3(11) . . ?
B4 B10 B5 59.99(12) . . ?
B4 B10 B12 107.06(14) . . ?
B5 B10 B12 108.06(14) . . ?
B4 B10 B9 59.35(12) . . ?
B5 B10 B9 108.19(14) . . ?
B12 B10 B9 60.23(12) . . ?
B4 B10 B11 107.24(14) . . ?
B5 B10 B11 59.72(12) . . ?
B12 B10 B11 60.33(12) . . ?
B9 B10 B11 108.50(14) . . ?
B4 B10 H10 121.8(12) . . ?
B5 B10 H10 120.0(12) . . ?
B12 B10 H10 123.2(12) . . ?
B9 B10 H10 122.6(12) . . ?
B11 B10 H10 121.5(12) . . ?
B6 B11 B5 60.29(12) . . ?
B6 B11 B7 59.95(12) . . ?
B5 B11 B7 107.75(14) . . ?
B6 B11 B10 108.09(14) . . ?
B5 B11 B10 59.86(12) . . ?
B7 B11 B10 107.34(14) . . ?
B6 B11 B12 107.97(14) . . ?
B5 B11 B12 107.60(14) . . ?
B7 B11 B12 59.75(12) . . ?
B10 B11 B12 59.62(12) . . ?
B6 B11 H11 121.3(11) . . ?
B5 B11 H11 120.7(11) . . ?
B7 B11 H11 123.1(11) . . ?
B10 B11 H11 121.5(11) . . ?
B12 B11 H11 122.8(11) . . ?
B10 B12 B7 107.81(15) . . ?
B10 B12 B8 108.10(14) . . ?
B7 B12 B8 60.07(12) . . ?
B10 B12 B9 60.09(12) . . ?
B7 B12 B9 107.83(14) . . ?
B8 B12 B9 59.93(11) . . ?
B10 B12 B11 60.05(12) . . ?
B7 B12 B11 59.91(12) . . ?
B8 B12 B11 108.24(14) . . ?
B9 B12 B11 108.17(15) . . ?
B10 B12 H12 120.8(11) . . ?
B7 B12 H12 122.8(11) . . ?
B8 B12 H12 122.1(11) . . ?
B9 B12 H12 121.1(11) . . ?
B11 B12 H12 121.6(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
C19A C1 C2 B7 145.33(16) . . . . ?
C19B C1 C2 B7 148.9(4) . . . . ?
B4 C1 C2 B7 -67.76(17) . . . . ?
B5 C1 C2 B7 -0.45(19) . . . . ?
B6 C1 C2 B7 38.74(14) . . . . ?
B3 C1 C2 B7 -108.10(16) . . . . ?
C19A C1 C2 B8 -146.34(15) . . . . ?
C19B C1 C2 B8 -142.7(4) . . . . ?
B4 C1 C2 B8 0.57(18) . . . . ?
B5 C1 C2 B8 67.88(17) . . . . ?
B6 C1 C2 B8 107.07(16) . . . . ?
B3 C1 C2 B8 -39.77(13) . . . . ?
C19A C1 C2 B6 106.60(17) . . . . ?
C19B C1 C2 B6 110.2(4) . . . . ?
B4 C1 C2 B6 -106.50(15) . . . . ?
B5 C1 C2 B6 -39.19(14) . . . . ?
B3 C1 C2 B6 -146.84(14) . . . . ?
C19A C1 C2 B3 -106.56(17) . . . . ?
C19B C1 C2 B3 -103.0(4) . . . . ?
B4 C1 C2 B3 40.34(13) . . . . ?
B5 C1 C2 B3 107.65(15) . . . . ?
B6 C1 C2 B3 146.84(14) . . . . ?
C2 C1 C19A C20A 169.38(12) . . . . ?
B4 C1 C19A C20A 26.7(2) . . . . ?
B5 C1 C19A C20A -48.4(2) . . . . ?
B6 C1 C19A C20A -120.14(15) . . . . ?
B3 C1 C19A C20A 99.26(16) . . . . ?
C2 C1 C19A N24A -12.98(19) . . . . ?
B4 C1 C19A N24A -155.66(14) . . . . ?
B5 C1 C19A N24A 129.28(14) . . . . ?
B6 C1 C19A N24A 57.50(18) . . . . ?
B3 C1 C19A N24A -83.10(16) . . . . ?
N24A C19A C20A C21A 0.0 . . . . ?
C1 C19A C20A C21A 177.53(19) . . . . ?
C19A C20A C21A C22A 0.0 . . . . ?
C20A C21A C22A C23A 0.0 . . . . ?
C21A C22A C23A N24A 0.0 . . . . ?
C22A C23A N24A C19A 0.0 . . . . ?
C20A C19A N24A C23A 0.0 . . . . ?
C1 C19A N24A C23A -177.77(17) . . . . ?
C2 C1 C19B N20B 148.7(4) . . . . ?
B4 C1 C19B N20B 9.0(6) . . . . ?
B5 C1 C19B N20B -65.5(5) . . . . ?
B6 C1 C19B N20B -139.4(4) . . . . ?
B3 C1 C19B N20B 79.6(5) . . . . ?
C2 C1 C19B C24B -39.3(8) . . . . ?
B4 C1 C19B C24B -179.0(5) . . . . ?
B5 C1 C19B C24B 106.4(6) . . . . ?
B6 C1 C19B C24B 32.6(8) . . . . ?
B3 C1 C19B C24B -108.5(6) . . . . ?
C24B C19B N20B C21B 0.0 . . . . ?
C1 C19B N20B C21B 173.1(7) . . . . ?
C19B N20B C21B C22B 0.0 . . . . ?
N20B C21B C22B C23B 0.0 . . . . ?
C21B C22B C23B C24B 0.0 . . . . ?
C22B C23B C24B C19B 0.0 . . . . ?
N20B C19B C24B C23B 0.0 . . . . ?
C1 C19B C24B C23B -171.1(9) . . . . ?
C18 C13 C14 C15 0.5(3) . . . . ?
B3 C13 C14 C15 176.73(18) . . . . ?
C13 C14 C15 C16 -0.9(3) . . . . ?
C14 C15 C16 C17 0.7(3) . . . . ?
C15 C16 C17 C18 -0.1(3) . . . . ?
C16 C17 C18 C13 -0.4(3) . . . . ?
C14 C13 C18 C17 0.2(3) . . . . ?
B3 C13 C18 C17 -176.13(17) . . . . ?
C18 C13 B3 C2 -165.31(16) . . . . ?
C14 C13 B3 C2 18.6(3) . . . . ?
C18 C13 B3 C1 -98.7(2) . . . . ?
C14 C13 B3 C1 85.1(2) . . . . ?
C18 C13 B3 B9 46.2(3) . . . . ?
C14 C13 B3 B9 -129.9(2) . . . . ?
C18 C13 B3 B4 -29.9(3) . . . . ?
C14 C13 B3 B4 153.93(17) . . . . ?
C18 C13 B3 B8 123.86(19) . . . . ?
C14 C13 B3 B8 -52.3(3) . . . . ?
C1 C2 B3 C13 107.84(17) . . . . ?
B7 C2 B3 C13 -150.08(16) . . . . ?
B8 C2 B3 C13 -114.32(18) . . . . ?
B6 C2 B3 C13 140.16(16) . . . . ?
B7 C2 B3 C1 102.08(16) . . . . ?
B8 C2 B3 C1 137.84(14) . . . . ?
B6 C2 B3 C1 32.32(14) . . . . ?
C1 C2 B3 B9 -96.79(14) . . . . ?
B7 C2 B3 B9 5.30(19) . . . . ?
B8 C2 B3 B9 41.05(13) . . . . ?
B6 C2 B3 B9 -64.47(18) . . . . ?
C1 C2 B3 B4 -36.05(12) . . . . ?
B7 C2 B3 B4 66.04(17) . . . . ?
B8 C2 B3 B4 101.79(14) . . . . ?
B6 C2 B3 B4 -3.73(19) . . . . ?
C1 C2 B3 B8 -137.84(14) . . . . ?
B7 C2 B3 B8 -35.76(14) . . . . ?
B6 C2 B3 B8 -105.52(16) . . . . ?
C19A C1 B3 C13 -0.2(2) . . . . ?
C19B C1 B3 C13 1.5(4) . . . . ?
C2 C1 B3 C13 -109.52(18) . . . . ?
B4 C1 B3 C13 113.91(18) . . . . ?
B5 C1 B3 C13 149.34(16) . . . . ?
B6 C1 B3 C13 -141.52(16) . . . . ?
C19A C1 B3 C2 109.31(16) . . . . ?
C19B C1 B3 C2 111.1(4) . . . . ?
B4 C1 B3 C2 -136.56(14) . . . . ?
B5 C1 B3 C2 -101.13(15) . . . . ?
B6 C1 B3 C2 -31.99(14) . . . . ?
C19A C1 B3 B9 -153.05(14) . . . . ?
C19B C1 B3 B9 -151.3(3) . . . . ?
C2 C1 B3 B9 97.64(14) . . . . ?
B4 C1 B3 B9 -38.92(13) . . . . ?
B5 C1 B3 B9 -3.49(17) . . . . ?
B6 C1 B3 B9 65.65(17) . . . . ?
C19A C1 B3 B4 -114.13(16) . . . . ?
C19B C1 B3 B4 -112.4(4) . . . . ?
C2 C1 B3 B4 136.56(14) . . . . ?
B5 C1 B3 B4 35.43(14) . . . . ?
B6 C1 B3 B4 104.57(15) . . . . ?
C19A C1 B3 B8 145.10(14) . . . . ?
C19B C1 B3 B8 146.9(3) . . . . ?
C2 C1 B3 B8 35.79(12) . . . . ?
B4 C1 B3 B8 -100.77(14) . . . . ?
B5 C1 B3 B8 -65.34(16) . . . . ?
B6 C1 B3 B8 3.80(18) . . . . ?
C19A C1 B4 B9 145.81(16) . . . . ?
C19B C1 B4 B9 143.3(4) . . . . ?
C2 C1 B4 B9 0.39(18) . . . . ?
B5 C1 B4 B9 -103.36(15) . . . . ?
B6 C1 B4 B9 -66.41(17) . . . . ?
B3 C1 B4 B9 40.29(13) . . . . ?
C19A C1 B4 B10 -150.34(16) . . . . ?
C19B C1 B4 B10 -152.8(4) . . . . ?
C2 C1 B4 B10 64.24(17) . . . . ?
B5 C1 B4 B10 -39.51(14) . . . . ?
B6 C1 B4 B10 -2.55(19) . . . . ?
B3 C1 B4 B10 104.14(15) . . . . ?
C19A C1 B4 B5 -110.84(18) . . . . ?
C19B C1 B4 B5 -113.3(4) . . . . ?
C2 C1 B4 B5 103.75(15) . . . . ?
B6 C1 B4 B5 36.95(14) . . . . ?
B3 C1 B4 B5 143.65(14) . . . . ?
C19A C1 B4 B3 105.52(17) . . . . ?
C19B C1 B4 B3 103.0(4) . . . . ?
C2 C1 B4 B3 -39.90(13) . . . . ?
B5 C1 B4 B3 -143.65(14) . . . . ?
B6 C1 B4 B3 -106.70(15) . . . . ?
C13 B3 B4 C1 -106.65(18) . . . . ?
C2 B3 B4 C1 35.65(12) . . . . ?
B9 B3 B4 C1 134.53(14) . . . . ?
B8 B3 B4 C1 95.45(14) . . . . ?
C13 B3 B4 B9 118.82(19) . . . . ?
C2 B3 B4 B9 -98.88(14) . . . . ?
C1 B3 B4 B9 -134.53(14) . . . . ?
B8 B3 B4 B9 -39.08(13) . . . . ?
C13 B3 B4 B10 155.34(16) . . . . ?
C2 B3 B4 B10 -62.37(17) . . . . ?
C1 B3 B4 B10 -98.01(15) . . . . ?
B9 B3 B4 B10 36.52(14) . . . . ?
B8 B3 B4 B10 -2.57(18) . . . . ?
C13 B3 B4 B5 -139.81(17) . . . . ?
C2 B3 B4 B5 2.49(18) . . . . ?
C1 B3 B4 B5 -33.16(13) . . . . ?
B9 B3 B4 B5 101.37(16) . . . . ?
B8 B3 B4 B5 62.29(18) . . . . ?
C19A C1 B5 B4 112.87(17) . . . . ?
C19B C1 B5 B4 109.5(4) . . . . ?
C2 C1 B5 B4 -102.33(15) . . . . ?
B6 C1 B5 B4 -141.34(15) . . . . ?
B3 C1 B5 B4 -35.31(14) . . . . ?
C19A C1 B5 B11 -145.59(16) . . . . ?
C19B C1 B5 B11 -149.0(4) . . . . ?
C2 C1 B5 B11 -0.78(18) . . . . ?
B4 C1 B5 B11 101.54(16) . . . . ?
B6 C1 B5 B11 -39.79(13) . . . . ?
B3 C1 B5 B11 66.24(17) . . . . ?
C19A C1 B5 B10 151.69(15) . . . . ?
C19B C1 B5 B10 148.3(4) . . . . ?
C2 C1 B5 B10 -63.51(17) . . . . ?
B4 C1 B5 B10 38.82(13) . . . . ?
B6 C1 B5 B10 -102.52(15) . . . . ?
B3 C1 B5 B10 3.51(18) . . . . ?
C19A C1 B5 B6 -105.80(17) . . . . ?
C19B C1 B5 B6 -109.2(4) . . . . ?
C2 C1 B5 B6 39.01(14) . . . . ?
B4 C1 B5 B6 141.34(15) . . . . ?
B3 C1 B5 B6 106.03(15) . . . . ?
B9 B4 B5 C1 98.36(15) . . . . ?
B10 B4 B5 C1 135.36(15) . . . . ?
B3 B4 B5 C1 33.63(13) . . . . ?
C1 B4 B5 B11 -97.05(15) . . . . ?
B9 B4 B5 B11 1.3(2) . . . . ?
B10 B4 B5 B11 38.31(14) . . . . ?
B3 B4 B5 B11 -63.41(18) . . . . ?
C1 B4 B5 B10 -135.36(15) . . . . ?
B9 B4 B5 B10 -36.99(14) . . . . ?
B3 B4 B5 B10 -101.73(16) . . . . ?
C1 B4 B5 B6 -34.25(13) . . . . ?
B9 B4 B5 B6 64.12(18) . . . . ?
B10 B4 B5 B6 101.11(16) . . . . ?
B3 B4 B5 B6 -0.6(2) . . . . ?
B7 C2 B6 C1 -138.77(14) . . . . ?
B8 C2 B6 C1 -102.40(15) . . . . ?
B3 C2 B6 C1 -32.63(14) . . . . ?
C1 C2 B6 B11 98.36(14) . . . . ?
B7 C2 B6 B11 -40.41(13) . . . . ?
B8 C2 B6 B11 -4.03(18) . . . . ?
B3 C2 B6 B11 65.73(18) . . . . ?
C1 C2 B6 B7 138.77(14) . . . . ?
B8 C2 B6 B7 36.37(14) . . . . ?
B3 C2 B6 B7 106.14(16) . . . . ?
C1 C2 B6 B5 36.09(13) . . . . ?
B7 C2 B6 B5 -102.68(15) . . . . ?
B8 C2 B6 B5 -66.31(17) . . . . ?
B3 C2 B6 B5 3.5(2) . . . . ?
C19A C1 B6 C2 -109.45(16) . . . . ?
C19B C1 B6 C2 -108.9(4) . . . . ?
B4 C1 B6 C2 100.85(15) . . . . ?
B5 C1 B6 C2 138.03(15) . . . . ?
B3 C1 B6 C2 31.88(14) . . . . ?
C19A C1 B6 B11 152.51(15) . . . . ?
C19B C1 B6 B11 153.1(4) . . . . ?
C2 C1 B6 B11 -98.03(15) . . . . ?
B4 C1 B6 B11 2.81(19) . . . . ?
B5 C1 B6 B11 40.00(14) . . . . ?
B3 C1 B6 B11 -66.15(17) . . . . ?
C19A C1 B6 B7 -144.73(15) . . . . ?
C19B C1 B6 B7 -144.1(4) . . . . ?
C2 C1 B6 B7 -35.27(13) . . . . ?
B4 C1 B6 B7 65.57(17) . . . . ?
B5 C1 B6 B7 102.76(15) . . . . ?
B3 C1 B6 B7 -3.39(18) . . . . ?
C19A C1 B6 B5 112.52(17) . . . . ?
C19B C1 B6 B5 113.1(4) . . . . ?
C2 C1 B6 B5 -138.03(15) . . . . ?
B4 C1 B6 B5 -37.18(15) . . . . ?
B3 C1 B6 B5 -106.15(15) . . . . ?
C1 B5 B6 C2 -35.22(12) . . . . ?
B4 B5 B6 C2 -1.57(19) . . . . ?
B11 B5 B6 C2 99.01(15) . . . . ?
B10 B5 B6 C2 61.40(17) . . . . ?
B4 B5 B6 C1 33.65(13) . . . . ?
B11 B5 B6 C1 134.23(15) . . . . ?
B10 B5 B6 C1 96.62(15) . . . . ?
C1 B5 B6 B11 -134.23(15) . . . . ?
B4 B5 B6 B11 -100.58(16) . . . . ?
B10 B5 B6 B11 -37.61(14) . . . . ?
C1 B5 B6 B7 -95.89(15) . . . . ?
B4 B5 B6 B7 -62.24(18) . . . . ?
B11 B5 B6 B7 38.34(14) . . . . ?
B10 B5 B6 B7 0.73(18) . . . . ?
C1 C2 B7 B6 -38.51(13) . . . . ?
B8 C2 B7 B6 -142.74(15) . . . . ?
B3 C2 B7 B6 -107.22(16) . . . . ?
C1 C2 B7 B12 64.11(17) . . . . ?
B8 C2 B7 B12 -40.12(14) . . . . ?
B6 C2 B7 B12 102.62(15) . . . . ?
B3 C2 B7 B12 -4.60(19) . . . . ?
C1 C2 B7 B8 104.23(15) . . . . ?
B6 C2 B7 B8 142.74(15) . . . . ?
B3 C2 B7 B8 35.52(14) . . . . ?
C1 C2 B7 B11 1.47(19) . . . . ?
B8 C2 B7 B11 -102.76(15) . . . . ?
B6 C2 B7 B11 39.98(13) . . . . ?
B3 C2 B7 B11 -67.25(18) . . . . ?
C1 B6 B7 C2 34.63(12) . . . . ?
B11 B6 B7 C2 133.94(14) . . . . ?
B5 B6 B7 C2 95.80(14) . . . . ?
C2 B6 B7 B12 -96.73(15) . . . . ?
C1 B6 B7 B12 -62.10(17) . . . . ?
B11 B6 B7 B12 37.21(13) . . . . ?
B5 B6 B7 B12 -0.93(18) . . . . ?
C2 B6 B7 B8 -33.13(13) . . . . ?
C1 B6 B7 B8 1.50(19) . . . . ?
B11 B6 B7 B8 100.81(16) . . . . ?
B5 B6 B7 B8 62.67(18) . . . . ?
C2 B6 B7 B11 -133.94(14) . . . . ?
C1 B6 B7 B11 -99.31(14) . . . . ?
B5 B6 B7 B11 -38.14(13) . . . . ?
C1 C2 B8 B12 -63.65(17) . . . . ?
B7 C2 B8 B12 40.05(13) . . . . ?
B6 C2 B8 B12 3.99(18) . . . . ?
B3 C2 B8 B12 -103.52(15) . . . . ?
C1 C2 B8 B7 -103.71(15) . . . . ?
B6 C2 B8 B7 -36.06(14) . . . . ?
B3 C2 B8 B7 -143.57(15) . . . . ?
C1 C2 B8 B9 -1.25(18) . . . . ?
B7 C2 B8 B9 102.45(15) . . . . ?
B6 C2 B8 B9 66.39(17) . . . . ?
B3 C2 B8 B9 -41.12(13) . . . . ?
C1 C2 B8 B3 39.87(13) . . . . ?
B7 C2 B8 B3 143.57(15) . . . . ?
B6 C2 B8 B3 107.51(15) . . . . ?
B6 B7 B8 C2 33.52(14) . . . . ?
B12 B7 B8 C2 133.94(15) . . . . ?
B11 B7 B8 C2 96.70(15) . . . . ?
C2 B7 B8 B12 -133.94(15) . . . . ?
B6 B7 B8 B12 -100.42(16) . . . . ?
B11 B7 B8 B12 -37.24(14) . . . . ?
C2 B7 B8 B9 -96.20(15) . . . . ?
B6 B7 B8 B9 -62.67(18) . . . . ?
B12 B7 B8 B9 37.75(14) . . . . ?
B11 B7 B8 B9 0.51(19) . . . . ?
C2 B7 B8 B3 -32.79(13) . . . . ?
B6 B7 B8 B3 0.7(2) . . . . ?
B12 B7 B8 B3 101.15(16) . . . . ?
B11 B7 B8 B3 63.91(18) . . . . ?
C13 B3 B8 C2 108.31(19) . . . . ?
C1 B3 B8 C2 -34.90(12) . . . . ?
B9 B3 B8 C2 -132.53(14) . . . . ?
B4 B3 B8 C2 -93.88(14) . . . . ?
C13 B3 B8 B12 -155.64(16) . . . . ?
C2 B3 B8 B12 96.05(15) . . . . ?
C1 B3 B8 B12 61.14(17) . . . . ?
B9 B3 B8 B12 -36.48(14) . . . . ?
B4 B3 B8 B12 2.17(18) . . . . ?
C13 B3 B8 B7 140.62(17) . . . . ?
C2 B3 B8 B7 32.31(13) . . . . ?
C1 B3 B8 B7 -2.59(18) . . . . ?
B9 B3 B8 B7 -100.22(16) . . . . ?
B4 B3 B8 B7 -61.56(17) . . . . ?
C13 B3 B8 B9 -119.16(19) . . . . ?
C2 B3 B8 B9 132.53(14) . . . . ?
C1 B3 B8 B9 97.63(14) . . . . ?
B4 B3 B8 B9 38.65(13) . . . . ?
C1 B4 B9 B3 -40.53(12) . . . . ?
B10 B4 B9 B3 -140.22(14) . . . . ?
B5 B4 B9 B3 -103.47(15) . . . . ?
C1 B4 B9 B8 -1.15(18) . . . . ?
B10 B4 B9 B8 -100.84(15) . . . . ?
B5 B4 B9 B8 -64.10(18) . . . . ?
B3 B4 B9 B8 39.38(13) . . . . ?
C1 B4 B9 B10 99.69(15) . . . . ?
B5 B4 B9 B10 36.74(14) . . . . ?
B3 B4 B9 B10 140.22(14) . . . . ?
C1 B4 B9 B12 61.75(17) . . . . ?
B10 B4 B9 B12 -37.94(14) . . . . ?
B5 B4 B9 B12 -1.20(19) . . . . ?
B3 B4 B9 B12 102.27(15) . . . . ?
C13 B3 B9 B4 -111.7(2) . . . . ?
C2 B3 B9 B4 95.63(14) . . . . ?
C1 B3 B9 B4 37.83(12) . . . . ?
B8 B3 B9 B4 135.65(14) . . . . ?
C13 B3 B9 B8 112.7(2) . . . . ?
C2 B3 B9 B8 -40.02(12) . . . . ?
C1 B3 B9 B8 -97.81(13) . . . . ?
B4 B3 B9 B8 -135.65(14) . . . . ?
C13 B3 B9 B10 -147.51(17) . . . . ?
C2 B3 B9 B10 59.79(17) . . . . ?
C1 B3 B9 B10 1.99(17) . . . . ?
B4 B3 B9 B10 -35.85(13) . . . . ?
B8 B3 B9 B10 99.80(15) . . . . ?
C13 B3 B9 B12 148.99(17) . . . . ?
C2 B3 B9 B12 -3.71(18) . . . . ?
C1 B3 B9 B12 -61.51(17) . . . . ?
B4 B3 B9 B12 -99.34(16) . . . . ?
B8 B3 B9 B12 36.30(14) . . . . ?
C2 B8 B9 B4 1.44(18) . . . . ?
B12 B8 B9 B4 99.97(15) . . . . ?
B7 B8 B9 B4 62.35(17) . . . . ?
B3 B8 B9 B4 -39.58(13) . . . . ?
C2 B8 B9 B3 41.02(12) . . . . ?
B12 B8 B9 B3 139.56(15) . . . . ?
B7 B8 B9 B3 101.93(15) . . . . ?
C2 B8 B9 B10 -61.50(17) . . . . ?
B12 B8 B9 B10 37.04(14) . . . . ?
B7 B8 B9 B10 -0.59(19) . . . . ?
B3 B8 B9 B10 -102.52(15) . . . . ?
C2 B8 B9 B12 -98.54(15) . . . . ?
B7 B8 B9 B12 -37.62(14) . . . . ?
B3 B8 B9 B12 -139.56(15) . . . . ?
C1 B4 B10 B5 39.12(13) . . . . ?
B9 B4 B10 B5 139.59(15) . . . . ?
B3 B4 B10 B5 103.34(15) . . . . ?
C1 B4 B10 B12 -62.25(18) . . . . ?
B9 B4 B10 B12 38.22(14) . . . . ?
B5 B4 B10 B12 -101.37(15) . . . . ?
B3 B4 B10 B12 1.97(19) . . . . ?
C1 B4 B10 B9 -100.47(15) . . . . ?
B5 B4 B10 B9 -139.59(15) . . . . ?
B3 B4 B10 B9 -36.25(13) . . . . ?
C1 B4 B10 B11 1.20(19) . . . . ?
B9 B4 B10 B11 101.67(16) . . . . ?
B5 B4 B10 B11 -37.92(14) . . . . ?
B3 B4 B10 B11 65.42(18) . . . . ?
C1 B5 B10 B4 -37.94(13) . . . . ?
B11 B5 B10 B4 -137.18(15) . . . . ?
B6 B5 B10 B4 -99.93(15) . . . . ?
C1 B5 B10 B12 61.73(17) . . . . ?
B4 B5 B10 B12 99.67(16) . . . . ?
B11 B5 B10 B12 -37.51(14) . . . . ?
B6 B5 B10 B12 -0.25(19) . . . . ?
C1 B5 B10 B9 -2.00(18) . . . . ?
B4 B5 B10 B9 35.94(14) . . . . ?
B11 B5 B10 B9 -101.24(16) . . . . ?
B6 B5 B10 B9 -63.98(18) . . . . ?
C1 B5 B10 B11 99.24(15) . . . . ?
B4 B5 B10 B11 137.18(15) . . . . ?
B6 B5 B10 B11 37.26(13) . . . . ?
B3 B9 B10 B4 36.19(13) . . . . ?
B8 B9 B10 B4 99.94(15) . . . . ?
B12 B9 B10 B4 137.05(15) . . . . ?
B4 B9 B10 B5 -36.22(14) . . . . ?
B3 B9 B10 B5 -0.03(19) . . . . ?
B8 B9 B10 B5 63.72(18) . . . . ?
B12 B9 B10 B5 100.83(15) . . . . ?
B4 B9 B10 B12 -137.05(15) . . . . ?
B3 B9 B10 B12 -100.86(16) . . . . ?
B8 B9 B10 B12 -37.11(14) . . . . ?
B4 B9 B10 B11 -99.50(16) . . . . ?
B3 B9 B10 B11 -63.31(18) . . . . ?
B8 B9 B10 B11 0.44(19) . . . . ?
B12 B9 B10 B11 37.55(14) . . . . ?
C2 B6 B11 B5 -98.13(14) . . . . ?
C1 B6 B11 B5 -39.28(13) . . . . ?
B7 B6 B11 B5 -137.36(15) . . . . ?
C2 B6 B11 B7 39.23(12) . . . . ?
C1 B6 B11 B7 98.08(14) . . . . ?
B5 B6 B11 B7 137.36(15) . . . . ?
C2 B6 B11 B10 -60.74(17) . . . . ?
C1 B6 B11 B10 -1.89(19) . . . . ?
B7 B6 B11 B10 -99.97(16) . . . . ?
B5 B6 B11 B10 37.39(14) . . . . ?
C2 B6 B11 B12 2.29(18) . . . . ?
C1 B6 B11 B12 61.15(17) . . . . ?
B7 B6 B11 B12 -36.94(13) . . . . ?
B5 B6 B11 B12 100.43(15) . . . . ?
C1 B5 B11 B6 39.65(13) . . . . ?
B4 B5 B11 B6 100.14(15) . . . . ?
B10 B5 B11 B6 138.13(15) . . . . ?
C1 B5 B11 B7 1.65(19) . . . . ?
B4 B5 B11 B7 62.14(18) . . . . ?
B10 B5 B11 B7 100.13(16) . . . . ?
B6 B5 B11 B7 -38.00(14) . . . . ?
C1 B5 B11 B10 -98.48(15) . . . . ?
B4 B5 B11 B10 -37.99(14) . . . . ?
B6 B5 B11 B10 -138.13(15) . . . . ?
C1 B5 B11 B12 -61.39(17) . . . . ?
B4 B5 B11 B12 -0.90(19) . . . . ?
B10 B5 B11 B12 37.09(14) . . . . ?
B6 B5 B11 B12 -101.04(15) . . . . ?
C2 B7 B11 B6 -40.05(13) . . . . ?
B12 B7 B11 B6 -138.57(14) . . . . ?
B8 B7 B11 B6 -101.49(15) . . . . ?
C2 B7 B11 B5 -1.90(19) . . . . ?
B6 B7 B11 B5 38.15(14) . . . . ?
B12 B7 B11 B5 -100.42(15) . . . . ?
B8 B7 B11 B5 -63.34(18) . . . . ?
C2 B7 B11 B10 61.20(18) . . . . ?
B6 B7 B11 B10 101.25(15) . . . . ?
B12 B7 B11 B10 -37.32(14) . . . . ?
B8 B7 B11 B10 -0.23(19) . . . . ?
C2 B7 B11 B12 98.52(15) . . . . ?
B6 B7 B11 B12 138.57(14) . . . . ?
B8 B7 B11 B12 37.08(14) . . . . ?
B4 B10 B11 B6 0.5(2) . . . . ?
B5 B10 B11 B6 -37.58(14) . . . . ?
B12 B10 B11 B6 100.64(16) . . . . ?
B9 B10 B11 B6 63.13(19) . . . . ?
B4 B10 B11 B5 38.04(14) . . . . ?
B12 B10 B11 B5 138.22(15) . . . . ?
B9 B10 B11 B5 100.71(16) . . . . ?
B4 B10 B11 B7 -62.80(19) . . . . ?
B5 B10 B11 B7 -100.85(15) . . . . ?
B12 B10 B11 B7 37.38(14) . . . . ?
B9 B10 B11 B7 -0.1(2) . . . . ?
B4 B10 B11 B12 -100.18(16) . . . . ?
B5 B10 B11 B12 -138.22(15) . . . . ?
B9 B10 B11 B12 -37.51(14) . . . . ?
B4 B10 B12 B7 62.92(18) . . . . ?
B5 B10 B12 B7 -0.32(19) . . . . ?
B9 B10 B12 B7 100.74(15) . . . . ?
B11 B10 B12 B7 -37.56(14) . . . . ?
B4 B10 B12 B8 -0.57(19) . . . . ?
B5 B10 B12 B8 -63.81(18) . . . . ?
B9 B10 B12 B8 37.25(14) . . . . ?
B11 B10 B12 B8 -101.05(16) . . . . ?
B4 B10 B12 B9 -37.82(14) . . . . ?
B5 B10 B12 B9 -101.06(15) . . . . ?
B11 B10 B12 B9 -138.30(15) . . . . ?
B4 B10 B12 B11 100.48(16) . . . . ?
B5 B10 B12 B11 37.24(14) . . . . ?
B9 B10 B12 B11 138.30(15) . . . . ?
C2 B7 B12 B10 -61.58(18) . . . . ?
B6 B7 B12 B10 0.77(19) . . . . ?
B8 B7 B12 B10 -101.04(15) . . . . ?
B11 B7 B12 B10 37.62(14) . . . . ?
C2 B7 B12 B8 39.46(13) . . . . ?
B6 B7 B12 B8 101.82(15) . . . . ?
B11 B7 B12 B8 138.67(15) . . . . ?
C2 B7 B12 B9 1.88(19) . . . . ?
B6 B7 B12 B9 64.23(18) . . . . ?
B8 B7 B12 B9 -37.58(14) . . . . ?
B11 B7 B12 B9 101.09(16) . . . . ?
C2 B7 B12 B11 -99.21(15) . . . . ?
B6 B7 B12 B11 -36.85(13) . . . . ?
B8 B7 B12 B11 -138.67(15) . . . . ?
C2 B8 B12 B10 61.29(17) . . . . ?
B7 B8 B12 B10 100.55(16) . . . . ?
B9 B8 B12 B10 -37.32(14) . . . . ?
B3 B8 B12 B10 -1.02(19) . . . . ?
C2 B8 B12 B7 -39.26(13) . . . . ?
B9 B8 B12 B7 -137.87(15) . . . . ?
B3 B8 B12 B7 -101.57(15) . . . . ?
C2 B8 B12 B9 98.61(15) . . . . ?
B7 B8 B12 B9 137.87(15) . . . . ?
B3 B8 B12 B9 36.30(13) . . . . ?
C2 B8 B12 B11 -2.27(18) . . . . ?
B7 B8 B12 B11 36.99(13) . . . . ?
B9 B8 B12 B11 -100.88(16) . . . . ?
B3 B8 B12 B11 -64.58(18) . . . . ?
B4 B9 B12 B10 37.97(14) . . . . ?
B3 B9 B12 B10 101.91(16) . . . . ?
B8 B9 B12 B10 138.33(15) . . . . ?
B4 B9 B12 B7 -62.72(18) . . . . ?
B3 B9 B12 B7 1.2(2) . . . . ?
B8 B9 B12 B7 37.64(14) . . . . ?
B10 B9 B12 B7 -100.69(16) . . . . ?
B4 B9 B12 B8 -100.36(15) . . . . ?
B3 B9 B12 B8 -36.43(14) . . . . ?
B10 B9 B12 B8 -138.33(15) . . . . ?
B4 B9 B12 B11 0.62(19) . . . . ?
B3 B9 B12 B11 64.56(18) . . . . ?
B8 B9 B12 B11 100.99(16) . . . . ?
B10 B9 B12 B11 -37.35(14) . . . . ?
B6 B11 B12 B10 -100.85(15) . . . . ?
B5 B11 B12 B10 -37.19(14) . . . . ?
B7 B11 B12 B10 -137.87(15) . . . . ?
B6 B11 B12 B7 37.02(13) . . . . ?
B5 B11 B12 B7 100.68(15) . . . . ?
B10 B11 B12 B7 137.87(15) . . . . ?
B6 B11 B12 B8 -0.03(19) . . . . ?
B5 B11 B12 B8 63.62(18) . . . . ?
B7 B11 B12 B8 -37.06(13) . . . . ?
B10 B11 B12 B8 100.81(15) . . . . ?
B6 B11 B12 B9 -63.48(18) . . . . ?
B5 B11 B12 B9 0.18(19) . . . . ?
B7 B11 B12 B9 -100.51(15) . . . . ?
B10 B11 B12 B9 37.37(14) . . . . ?

_refine_diff_density_max         0.664
_refine_diff_density_min         -0.628
_refine_diff_density_rms         0.050

####################################################################### 
# 
# 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_201105f
_database_code_depnum_ccdc_archive 'CCDC 2043212'
loop_
_audit_author_name
_audit_author_address
'Ju-You Lu'
;Hainan University
China
;
_audit_update_record             
;
2020-11-10 deposited with the CCDC.	2021-01-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C19 H32 B10 N'
_chemical_formula_weight         382.56

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

loop_
_symmetry_equiv_pos_as_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                   10.8652(9)
_cell_length_b                   10.6399(9)
_cell_length_c                   19.5358(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.152(3)
_cell_angle_gamma                90.00
_cell_volume                     2223.1(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    2202
_cell_measurement_theta_min      2.185
_cell_measurement_theta_max      22.024

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.38
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.143
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             812
_exptl_absorpt_coefficient_mu    0.058
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9754
_exptl_absorpt_correction_T_max  0.9782
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10960
_diffrn_reflns_av_R_equivalents  0.0614
_diffrn_reflns_av_sigmaI/netI    0.0764
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.12
_diffrn_reflns_theta_max         25.02
_reflns_number_total             3912
_reflns_number_gt                2087
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_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)+(0.1193P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3912
_refine_ls_number_parameters     274
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1329
_refine_ls_R_factor_gt           0.0695
_refine_ls_wR_factor_ref         0.2162
_refine_ls_wR_factor_gt          0.1842
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_restrained_S_all      1.013
_refine_ls_shift/su_max          0.001
_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
N1 N -0.1166(3) 0.9730(2) 0.08016(13) 0.0559(8) Uani 1 1 d . . .
B3 B 0.0796(3) 0.8743(3) 0.22575(17) 0.0395(8) Uani 1 1 d . . .
B4 B -0.0347(3) 0.7710(3) 0.24741(18) 0.0417(9) Uani 1 1 d . . .
H4 H -0.0408 0.6740 0.2276 0.050 Uiso 1 1 calc R . .
B5 B -0.1694(4) 0.8553(3) 0.25603(19) 0.0464(9) Uani 1 1 d . . .
H5 H -0.2633 0.8141 0.2420 0.056 Uiso 1 1 calc R . .
B6 B -0.1422(3) 1.0149(3) 0.24102(19) 0.0436(9) Uani 1 1 d . . .
H6 H -0.2169 1.0788 0.2168 0.052 Uiso 1 1 calc R . .
B7 B -0.0185(4) 1.0635(4) 0.30548(19) 0.0525(10) Uani 1 1 d . . .
H7 H -0.0125 1.1611 0.3244 0.063 Uiso 1 1 calc R . .
B8 B 0.1146(4) 0.9785(4) 0.29650(18) 0.0513(10) Uani 1 1 d . . .
H8 H 0.2083 1.0206 0.3096 0.062 Uiso 1 1 calc R . .
B9 B 0.0874(4) 0.8188(4) 0.31138(18) 0.0506(10) Uani 1 1 d . . .
H9 H 0.1622 0.7541 0.3345 0.061 Uiso 1 1 calc R . .
B10 B -0.0649(4) 0.8081(4) 0.32970(19) 0.0540(10) Uani 1 1 d . . .
H10 H -0.0904 0.7360 0.3651 0.065 Uiso 1 1 calc R . .
B11 B -0.1308(4) 0.9597(4) 0.3262(2) 0.0551(11) Uani 1 1 d . . .
H11 H -0.1987 0.9879 0.3589 0.066 Uiso 1 1 calc R . .
B12 B 0.0294(4) 0.9357(4) 0.3611(2) 0.0599(11) Uani 1 1 d . . .
H12 H 0.0667 0.9478 0.4168 0.072 Uiso 1 1 calc R . .
C1 C -0.0796(3) 0.8973(2) 0.19721(14) 0.0344(7) Uani 1 1 d . . .
C2 C 0.0098(3) 1.0210(3) 0.22690(14) 0.0388(7) Uani 1 1 d . . .
C3 C -0.1332(3) 0.8811(3) 0.12239(15) 0.0368(7) Uani 1 1 d . . .
C4 C -0.1975(3) 0.7748(3) 0.09981(18) 0.0560(9) Uani 1 1 d . . .
H4A H -0.2077 0.7108 0.1308 0.067 Uiso 1 1 calc R . .
C5 C -0.2468(3) 0.7638(4) 0.0306(2) 0.0699(11) Uani 1 1 d . . .
H5A H -0.2919 0.6926 0.0138 0.084 Uiso 1 1 calc R . .
C6 C -0.2291(4) 0.8574(4) -0.0127(2) 0.0744(12) Uani 1 1 d . . .
H6A H -0.2608 0.8515 -0.0600 0.089 Uiso 1 1 calc R . .
C7 C -0.1650(4) 0.9594(4) 0.01322(19) 0.0774(12) Uani 1 1 d . . .
H7A H -0.1537 1.0239 -0.0172 0.093 Uiso 1 1 calc R . .
C8 C 0.0498(3) 1.1203(3) 0.17951(17) 0.0485(8) Uani 1 1 d . . .
H8A H 0.1318 1.1504 0.2010 0.058 Uiso 1 1 calc R . .
H8B H 0.0592 1.0796 0.1363 0.058 Uiso 1 1 calc R . .
C9 C -0.0327(4) 1.2319(3) 0.16192(19) 0.0604(10) Uani 1 1 d . . .
H9A H -0.0425 1.2753 0.2043 0.072 Uiso 1 1 calc R . .
H9B H -0.1147 1.2046 0.1388 0.072 Uiso 1 1 calc R . .
C10 C 0.0224(4) 1.3216(3) 0.1147(2) 0.0795(13) Uani 1 1 d . . .
H10A H 0.1082 1.3399 0.1357 0.095 Uiso 1 1 calc R . .
H10B H 0.0237 1.2802 0.0706 0.095 Uiso 1 1 calc R . .
C11 C -0.0452(5) 1.4386(4) 0.1018(2) 0.1001(16) Uani 1 1 d . . .
H11A H -0.1301 1.4215 0.0805 0.150 Uiso 1 1 calc R . .
H11B H -0.0063 1.4900 0.0713 0.150 Uiso 1 1 calc R . .
H11C H -0.0442 1.4820 0.1450 0.150 Uiso 1 1 calc R . .
C12 C 0.1667(3) 0.8438(3) 0.17258(15) 0.0387(7) Uani 1 1 d . . .
C13 C 0.2782(3) 0.9051(3) 0.17419(16) 0.0461(8) Uani 1 1 d . . .
H13 H 0.3015 0.9665 0.2078 0.055 Uiso 1 1 calc R . .
C14 C 0.3579(3) 0.8789(3) 0.12751(18) 0.0511(9) Uani 1 1 d . . .
C15 C 0.3240(3) 0.7871(3) 0.07807(17) 0.0538(9) Uani 1 1 d . . .
C16 C 0.2150(3) 0.7251(3) 0.07715(17) 0.0585(9) Uani 1 1 d . . .
H16 H 0.1924 0.6621 0.0444 0.070 Uiso 1 1 calc R . .
C17 C 0.1372(3) 0.7525(3) 0.12301(16) 0.0490(8) Uani 1 1 d . . .
H17 H 0.0627 0.7082 0.1205 0.059 Uiso 1 1 calc R . .
C18 C 0.4773(3) 0.9491(4) 0.1329(2) 0.0795(12) Uani 1 1 d . . .
H18A H 0.5458 0.8908 0.1390 0.119 Uiso 1 1 calc R . .
H18B H 0.4862 1.0049 0.1721 0.119 Uiso 1 1 calc R . .
H18C H 0.4770 0.9968 0.0912 0.119 Uiso 1 1 calc R . .
C19 C 0.4055(4) 0.7562(4) 0.0261(2) 0.0923(15) Uani 1 1 d . . .
H19A H 0.3659 0.6925 -0.0050 0.138 Uiso 1 1 calc R . .
H19B H 0.4848 0.7258 0.0499 0.138 Uiso 1 1 calc R . .
H19C H 0.4180 0.8303 0.0002 0.138 Uiso 1 1 calc 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
N1 C3 1.312(3) . ?
N1 C7 1.328(4) . ?
B3 C12 1.558(4) . ?
B3 C2 1.737(4) . ?
B3 C1 1.739(4) . ?
B3 B8 1.760(5) . ?
B3 B9 1.762(5) . ?
B3 B4 1.765(5) . ?
B4 C1 1.684(4) . ?
B4 B9 1.731(5) . ?
B4 B10 1.741(5) . ?
B4 B5 1.749(5) . ?
B4 H4 1.1000 . ?
B5 C1 1.693(4) . ?
B5 B10 1.743(6) . ?
B5 B11 1.756(5) . ?
B5 B6 1.757(5) . ?
B5 H5 1.1000 . ?
B6 C1 1.722(4) . ?
B6 C2 1.723(4) . ?
B6 B11 1.748(5) . ?
B6 B7 1.750(5) . ?
B6 H6 1.1000 . ?
B7 C2 1.680(4) . ?
B7 B8 1.740(5) . ?
B7 B11 1.745(6) . ?
B7 B12 1.761(6) . ?
B7 H7 1.1000 . ?
B8 C2 1.674(5) . ?
B8 B12 1.752(5) . ?
B8 B9 1.757(5) . ?
B8 H8 1.1000 . ?
B9 B10 1.757(6) . ?
B9 B12 1.762(5) . ?
B9 H9 1.1000 . ?
B10 B12 1.746(6) . ?
B10 B11 1.761(6) . ?
B10 H10 1.1000 . ?
B11 B12 1.773(6) . ?
B11 H11 1.1000 . ?
B12 H12 1.1000 . ?
C1 C3 1.485(4) . ?
C1 C2 1.678(4) . ?
C2 C8 1.517(4) . ?
C3 C4 1.362(4) . ?
C4 C5 1.369(5) . ?
C4 H4A 0.9300 . ?
C5 C6 1.342(5) . ?
C5 H5A 0.9300 . ?
C6 C7 1.339(5) . ?
C6 H6A 0.9300 . ?
C7 H7A 0.9300 . ?
C8 C9 1.492(4) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.521(5) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.445(5) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C17 1.370(4) . ?
C12 C13 1.371(4) . ?
C13 C14 1.392(4) . ?
C13 H13 0.9300 . ?
C14 C15 1.377(5) . ?
C14 C18 1.484(4) . ?
C15 C16 1.353(5) . ?
C15 C19 1.496(5) . ?
C16 C17 1.367(4) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?

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
C3 N1 C7 117.6(3) . . ?
C12 B3 C2 120.9(2) . . ?
C12 B3 C1 120.2(2) . . ?
C2 B3 C1 57.73(17) . . ?
C12 B3 B8 125.6(3) . . ?
C2 B3 B8 57.20(18) . . ?
C1 B3 B8 103.2(2) . . ?
C12 B3 B9 129.1(3) . . ?
C2 B3 B9 103.7(2) . . ?
C1 B3 B9 103.3(2) . . ?
B8 B3 B9 59.9(2) . . ?
C12 B3 B4 124.5(3) . . ?
C2 B3 B4 103.3(2) . . ?
C1 B3 B4 57.45(18) . . ?
B8 B3 B4 105.5(2) . . ?
B9 B3 B4 58.8(2) . . ?
C1 B4 B9 107.0(2) . . ?
C1 B4 B10 105.9(2) . . ?
B9 B4 B10 60.8(2) . . ?
C1 B4 B5 59.05(18) . . ?
B9 B4 B5 109.1(3) . . ?
B10 B4 B5 59.9(2) . . ?
C1 B4 B3 60.49(18) . . ?
B9 B4 B3 60.5(2) . . ?
B10 B4 B3 109.6(3) . . ?
B5 B4 B3 109.9(2) . . ?
C1 B4 H4 123.4 . . ?
B9 B4 H4 121.3 . . ?
B10 B4 H4 121.8 . . ?
B5 B4 H4 121.0 . . ?
B3 B4 H4 120.1 . . ?
C1 B5 B10 105.5(3) . . ?
C1 B5 B4 58.55(18) . . ?
B10 B5 B4 59.8(2) . . ?
C1 B5 B11 106.0(2) . . ?
B10 B5 B11 60.4(2) . . ?
B4 B5 B11 108.1(3) . . ?
C1 B5 B6 59.86(18) . . ?
B10 B5 B6 108.2(3) . . ?
B4 B5 B6 108.1(2) . . ?
B11 B5 B6 59.7(2) . . ?
C1 B5 H5 123.8 . . ?
B10 B5 H5 122.1 . . ?
B4 B5 H5 121.8 . . ?
B11 B5 H5 122.0 . . ?
B6 B5 H5 121.3 . . ?
C1 B6 C2 58.29(17) . . ?
C1 B6 B11 105.1(2) . . ?
C2 B6 B11 104.8(3) . . ?
C1 B6 B7 104.6(2) . . ?
C2 B6 B7 57.84(19) . . ?
B11 B6 B7 59.9(2) . . ?
C1 B6 B5 58.22(18) . . ?
C2 B6 B5 104.9(2) . . ?
B11 B6 B5 60.1(2) . . ?
B7 B6 B5 107.2(3) . . ?
C1 B6 H6 124.1 . . ?
C2 B6 H6 124.3 . . ?
B11 B6 H6 122.7 . . ?
B7 B6 H6 122.8 . . ?
B5 B6 H6 122.4 . . ?
C2 B7 B8 58.59(19) . . ?
C2 B7 B11 106.8(3) . . ?
B8 B7 B11 108.8(3) . . ?
C2 B7 B6 60.27(19) . . ?
B8 B7 B6 108.7(3) . . ?
B11 B7 B6 60.0(2) . . ?
C2 B7 B12 105.9(3) . . ?
B8 B7 B12 60.0(2) . . ?
B11 B7 B12 60.7(2) . . ?
B6 B7 B12 108.8(3) . . ?
C2 B7 H7 123.4 . . ?
B8 B7 H7 121.5 . . ?
B11 B7 H7 121.5 . . ?
B6 B7 H7 120.9 . . ?
B12 B7 H7 121.8 . . ?
C2 B8 B7 58.9(2) . . ?
C2 B8 B12 106.6(3) . . ?
B7 B8 B12 60.6(2) . . ?
C2 B8 B9 106.6(3) . . ?
B7 B8 B9 108.6(3) . . ?
B12 B8 B9 60.3(2) . . ?
C2 B8 B3 60.71(19) . . ?
B7 B8 B3 109.8(3) . . ?
B12 B8 B3 109.5(3) . . ?
B9 B8 B3 60.1(2) . . ?
C2 B8 H8 123.2 . . ?
B7 B8 H8 121.1 . . ?
B12 B8 H8 121.5 . . ?
B9 B8 H8 122.1 . . ?
B3 B8 H8 120.2 . . ?
B4 B9 B10 59.9(2) . . ?
B4 B9 B8 107.1(3) . . ?
B10 B9 B8 106.8(3) . . ?
B4 B9 B3 60.7(2) . . ?
B10 B9 B3 109.0(3) . . ?
B8 B9 B3 60.0(2) . . ?
B4 B9 B12 107.6(3) . . ?
B10 B9 B12 59.5(2) . . ?
B8 B9 B12 59.7(2) . . ?
B3 B9 B12 109.0(3) . . ?
B4 B9 H9 122.0 . . ?
B10 B9 H9 122.0 . . ?
B8 B9 H9 122.7 . . ?
B3 B9 H9 120.6 . . ?
B12 B9 H9 121.7 . . ?
B4 B10 B5 60.3(2) . . ?
B4 B10 B12 107.8(3) . . ?
B5 B10 B12 108.8(3) . . ?
B4 B10 B9 59.3(2) . . ?
B5 B10 B9 108.2(3) . . ?
B12 B10 B9 60.4(2) . . ?
B4 B10 B11 108.2(3) . . ?
B5 B10 B11 60.2(2) . . ?
B12 B10 B11 60.7(2) . . ?
B9 B10 B11 108.9(3) . . ?
B4 B10 H10 122.1 . . ?
B5 B10 H10 121.3 . . ?
B12 B10 H10 121.2 . . ?
B9 B10 H10 121.6 . . ?
B11 B10 H10 121.2 . . ?
B7 B11 B6 60.1(2) . . ?
B7 B11 B5 107.5(2) . . ?
B6 B11 B5 60.2(2) . . ?
B7 B11 B10 107.0(3) . . ?
B6 B11 B10 107.8(3) . . ?
B5 B11 B10 59.4(2) . . ?
B7 B11 B12 60.1(2) . . ?
B6 B11 B12 108.4(3) . . ?
B5 B11 B12 107.0(3) . . ?
B10 B11 B12 59.2(2) . . ?
B7 B11 H11 122.0 . . ?
B6 B11 H11 121.3 . . ?
B5 B11 H11 122.2 . . ?
B10 B11 H11 122.5 . . ?
B12 B11 H11 122.0 . . ?
B10 B12 B8 107.5(3) . . ?
B10 B12 B7 107.0(3) . . ?
B8 B12 B7 59.4(2) . . ?
B10 B12 B9 60.1(2) . . ?
B8 B12 B9 60.0(2) . . ?
B7 B12 B9 107.5(3) . . ?
B10 B12 B11 60.1(2) . . ?
B8 B12 B11 107.0(3) . . ?
B7 B12 B11 59.2(2) . . ?
B9 B12 B11 108.1(3) . . ?
B10 B12 H12 122.0 . . ?
B8 B12 H12 122.2 . . ?
B7 B12 H12 122.6 . . ?
B9 B12 H12 121.5 . . ?
B11 B12 H12 122.0 . . ?
C3 C1 C2 122.3(2) . . ?
C3 C1 B4 120.2(2) . . ?
C2 C1 B4 109.5(2) . . ?
C3 C1 B5 117.7(2) . . ?
C2 C1 B5 109.9(2) . . ?
B4 C1 B5 62.39(19) . . ?
C3 C1 B6 116.9(2) . . ?
C2 C1 B6 60.88(17) . . ?
B4 C1 B6 112.9(2) . . ?
B5 C1 B6 61.92(19) . . ?
C3 C1 B3 119.6(2) . . ?
C2 C1 B3 61.09(17) . . ?
B4 C1 B3 62.06(19) . . ?
B5 C1 B3 113.9(2) . . ?
B6 C1 B3 113.6(2) . . ?
C8 C2 B8 117.2(3) . . ?
C8 C2 C1 123.1(2) . . ?
B8 C2 C1 109.8(2) . . ?
C8 C2 B7 119.3(2) . . ?
B8 C2 B7 62.5(2) . . ?
C1 C2 B7 109.8(2) . . ?
C8 C2 B6 120.6(2) . . ?
B8 C2 B6 113.2(2) . . ?
C1 C2 B6 60.83(17) . . ?
B7 C2 B6 61.9(2) . . ?
C8 C2 B3 116.4(2) . . ?
B8 C2 B3 62.1(2) . . ?
C1 C2 B3 61.18(17) . . ?
B7 C2 B3 113.8(2) . . ?
B6 C2 B3 113.6(2) . . ?
N1 C3 C4 122.3(3) . . ?
N1 C3 C1 117.3(3) . . ?
C4 C3 C1 120.3(3) . . ?
C3 C4 C5 118.7(3) . . ?
C3 C4 H4A 120.7 . . ?
C5 C4 H4A 120.7 . . ?
C6 C5 C4 119.0(4) . . ?
C6 C5 H5A 120.5 . . ?
C4 C5 H5A 120.5 . . ?
C7 C6 C5 119.1(4) . . ?
C7 C6 H6A 120.5 . . ?
C5 C6 H6A 120.5 . . ?
N1 C7 C6 123.3(4) . . ?
N1 C7 H7A 118.3 . . ?
C6 C7 H7A 118.3 . . ?
C9 C8 C2 118.0(3) . . ?
C9 C8 H8A 107.8 . . ?
C2 C8 H8A 107.8 . . ?
C9 C8 H8B 107.8 . . ?
C2 C8 H8B 107.8 . . ?
H8A C8 H8B 107.1 . . ?
C8 C9 C10 110.7(3) . . ?
C8 C9 H9A 109.5 . . ?
C10 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C10 C9 H9B 109.5 . . ?
H9A C9 H9B 108.1 . . ?
C11 C10 C9 113.8(3) . . ?
C11 C10 H10A 108.8 . . ?
C9 C10 H10A 108.8 . . ?
C11 C10 H10B 108.8 . . ?
C9 C10 H10B 108.8 . . ?
H10A C10 H10B 107.7 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C17 C12 C13 116.7(3) . . ?
C17 C12 B3 121.7(3) . . ?
C13 C12 B3 121.6(3) . . ?
C12 C13 C14 122.6(3) . . ?
C12 C13 H13 118.7 . . ?
C14 C13 H13 118.7 . . ?
C15 C14 C13 118.7(3) . . ?
C15 C14 C18 122.0(3) . . ?
C13 C14 C18 119.3(3) . . ?
C16 C15 C14 118.7(3) . . ?
C16 C15 C19 120.3(4) . . ?
C14 C15 C19 120.9(4) . . ?
C15 C16 C17 121.9(3) . . ?
C15 C16 H16 119.0 . . ?
C17 C16 H16 119.0 . . ?
C16 C17 C12 121.3(3) . . ?
C16 C17 H17 119.4 . . ?
C12 C17 H17 119.4 . . ?
C14 C18 H18A 109.5 . . ?
C14 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C14 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C15 C19 H19A 109.5 . . ?
C15 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C15 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?

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
C12 B3 B4 C1 -106.5(3) . . . . ?
C2 B3 B4 C1 36.8(2) . . . . ?
B8 B3 B4 C1 96.0(2) . . . . ?
B9 B3 B4 C1 134.9(3) . . . . ?
C12 B3 B4 B9 118.5(3) . . . . ?
C2 B3 B4 B9 -98.2(2) . . . . ?
C1 B3 B4 B9 -134.9(3) . . . . ?
B8 B3 B4 B9 -39.0(2) . . . . ?
C12 B3 B4 B10 155.8(3) . . . . ?
C2 B3 B4 B10 -60.9(3) . . . . ?
C1 B3 B4 B10 -97.7(3) . . . . ?
B8 B3 B4 B10 -1.7(3) . . . . ?
B9 B3 B4 B10 37.2(3) . . . . ?
C12 B3 B4 B5 -140.2(3) . . . . ?
C2 B3 B4 B5 3.1(3) . . . . ?
C1 B3 B4 B5 -33.6(2) . . . . ?
B8 B3 B4 B5 62.3(3) . . . . ?
B9 B3 B4 B5 101.3(3) . . . . ?
B9 B4 B5 C1 98.8(3) . . . . ?
B10 B4 B5 C1 135.9(3) . . . . ?
B3 B4 B5 C1 34.2(2) . . . . ?
C1 B4 B5 B10 -135.9(3) . . . . ?
B9 B4 B5 B10 -37.1(3) . . . . ?
B3 B4 B5 B10 -101.7(3) . . . . ?
C1 B4 B5 B11 -98.1(3) . . . . ?
B9 B4 B5 B11 0.7(3) . . . . ?
B10 B4 B5 B11 37.8(2) . . . . ?
B3 B4 B5 B11 -63.9(3) . . . . ?
C1 B4 B5 B6 -34.9(2) . . . . ?
B9 B4 B5 B6 63.9(3) . . . . ?
B10 B4 B5 B6 100.9(3) . . . . ?
B3 B4 B5 B6 -0.8(3) . . . . ?
B10 B5 B6 C1 97.7(3) . . . . ?
B4 B5 B6 C1 34.4(2) . . . . ?
B11 B5 B6 C1 135.2(3) . . . . ?
C1 B5 B6 C2 -36.4(2) . . . . ?
B10 B5 B6 C2 61.3(3) . . . . ?
B4 B5 B6 C2 -2.0(3) . . . . ?
B11 B5 B6 C2 98.8(3) . . . . ?
C1 B5 B6 B11 -135.2(3) . . . . ?
B10 B5 B6 B11 -37.4(3) . . . . ?
B4 B5 B6 B11 -100.8(3) . . . . ?
C1 B5 B6 B7 -96.8(3) . . . . ?
B10 B5 B6 B7 0.9(3) . . . . ?
B4 B5 B6 B7 -62.4(3) . . . . ?
B11 B5 B6 B7 38.4(2) . . . . ?
C1 B6 B7 C2 36.4(2) . . . . ?
B11 B6 B7 C2 135.6(3) . . . . ?
B5 B6 B7 C2 97.1(2) . . . . ?
C1 B6 B7 B8 2.1(3) . . . . ?
C2 B6 B7 B8 -34.2(2) . . . . ?
B11 B6 B7 B8 101.3(3) . . . . ?
B5 B6 B7 B8 62.8(3) . . . . ?
C1 B6 B7 B11 -99.2(3) . . . . ?
C2 B6 B7 B11 -135.6(3) . . . . ?
B5 B6 B7 B11 -38.5(2) . . . . ?
C1 B6 B7 B12 -61.7(3) . . . . ?
C2 B6 B7 B12 -98.0(3) . . . . ?
B11 B6 B7 B12 37.6(3) . . . . ?
B5 B6 B7 B12 -0.9(3) . . . . ?
B11 B7 B8 C2 98.7(3) . . . . ?
B6 B7 B8 C2 34.9(2) . . . . ?
B12 B7 B8 C2 136.3(3) . . . . ?
C2 B7 B8 B12 -136.3(3) . . . . ?
B11 B7 B8 B12 -37.7(3) . . . . ?
B6 B7 B8 B12 -101.4(3) . . . . ?
C2 B7 B8 B9 -98.6(3) . . . . ?
B11 B7 B8 B9 0.1(4) . . . . ?
B6 B7 B8 B9 -63.6(3) . . . . ?
B12 B7 B8 B9 37.8(3) . . . . ?
C2 B7 B8 B3 -34.5(2) . . . . ?
B11 B7 B8 B3 64.2(3) . . . . ?
B6 B7 B8 B3 0.4(4) . . . . ?
B12 B7 B8 B3 101.8(3) . . . . ?
C12 B3 B8 C2 106.9(3) . . . . ?
C1 B3 B8 C2 -36.5(2) . . . . ?
B9 B3 B8 C2 -134.4(3) . . . . ?
B4 B3 B8 C2 -96.0(2) . . . . ?
C12 B3 B8 B7 140.7(3) . . . . ?
C2 B3 B8 B7 33.8(2) . . . . ?
C1 B3 B8 B7 -2.7(3) . . . . ?
B9 B3 B8 B7 -100.6(3) . . . . ?
B4 B3 B8 B7 -62.2(3) . . . . ?
C12 B3 B8 B12 -154.6(3) . . . . ?
C2 B3 B8 B12 98.5(3) . . . . ?
C1 B3 B8 B12 62.0(3) . . . . ?
B9 B3 B8 B12 -35.9(3) . . . . ?
B4 B3 B8 B12 2.6(3) . . . . ?
C12 B3 B8 B9 -118.7(3) . . . . ?
C2 B3 B8 B9 134.4(3) . . . . ?
C1 B3 B8 B9 97.9(2) . . . . ?
B4 B3 B8 B9 38.4(2) . . . . ?
C1 B4 B9 B10 99.1(3) . . . . ?
B5 B4 B9 B10 36.7(2) . . . . ?
B3 B4 B9 B10 139.2(3) . . . . ?
C1 B4 B9 B8 -0.7(3) . . . . ?
B10 B4 B9 B8 -99.8(3) . . . . ?
B5 B4 B9 B8 -63.1(3) . . . . ?
B3 B4 B9 B8 39.4(2) . . . . ?
C1 B4 B9 B3 -40.1(2) . . . . ?
B10 B4 B9 B3 -139.2(3) . . . . ?
B5 B4 B9 B3 -102.5(2) . . . . ?
C1 B4 B9 B12 62.2(3) . . . . ?
B10 B4 B9 B12 -36.9(3) . . . . ?
B5 B4 B9 B12 -0.2(3) . . . . ?
B3 B4 B9 B12 102.3(3) . . . . ?
C2 B8 B9 B4 0.8(3) . . . . ?
B7 B8 B9 B4 62.9(3) . . . . ?
B12 B8 B9 B4 100.8(3) . . . . ?
B3 B8 B9 B4 -39.7(2) . . . . ?
C2 B8 B9 B10 -62.1(3) . . . . ?
B7 B8 B9 B10 0.0(3) . . . . ?
B12 B8 B9 B10 37.8(3) . . . . ?
B3 B8 B9 B10 -102.6(3) . . . . ?
C2 B8 B9 B3 40.5(2) . . . . ?
B7 B8 B9 B3 102.6(3) . . . . ?
B12 B8 B9 B3 140.5(3) . . . . ?
C2 B8 B9 B12 -100.0(3) . . . . ?
B7 B8 B9 B12 -37.9(3) . . . . ?
B3 B8 B9 B12 -140.5(3) . . . . ?
C12 B3 B9 B4 -111.1(4) . . . . ?
C2 B3 B9 B4 97.4(2) . . . . ?
C1 B3 B9 B4 37.8(2) . . . . ?
B8 B3 B9 B4 135.5(3) . . . . ?
C12 B3 B9 B10 -147.8(3) . . . . ?
C2 B3 B9 B10 60.7(3) . . . . ?
C1 B3 B9 B10 1.1(3) . . . . ?
B8 B3 B9 B10 98.8(3) . . . . ?
B4 B3 B9 B10 -36.7(2) . . . . ?
C12 B3 B9 B8 113.3(4) . . . . ?
C2 B3 B9 B8 -38.2(2) . . . . ?
C1 B3 B9 B8 -97.7(2) . . . . ?
B4 B3 B9 B8 -135.5(3) . . . . ?
C12 B3 B9 B12 148.8(3) . . . . ?
C2 B3 B9 B12 -2.7(3) . . . . ?
C1 B3 B9 B12 -62.2(3) . . . . ?
B8 B3 B9 B12 35.5(3) . . . . ?
B4 B3 B9 B12 -100.0(3) . . . . ?
C1 B4 B10 B5 38.4(2) . . . . ?
B9 B4 B10 B5 139.3(3) . . . . ?
B3 B4 B10 B5 102.2(3) . . . . ?
C1 B4 B10 B12 -63.5(3) . . . . ?
B9 B4 B10 B12 37.4(3) . . . . ?
B5 B4 B10 B12 -101.9(3) . . . . ?
B3 B4 B10 B12 0.2(4) . . . . ?
C1 B4 B10 B9 -100.9(3) . . . . ?
B5 B4 B10 B9 -139.3(3) . . . . ?
B3 B4 B10 B9 -37.1(2) . . . . ?
C1 B4 B10 B11 0.7(4) . . . . ?
B9 B4 B10 B11 101.6(3) . . . . ?
B5 B4 B10 B11 -37.7(3) . . . . ?
B3 B4 B10 B11 64.4(3) . . . . ?
C1 B5 B10 B4 -38.0(2) . . . . ?
B11 B5 B10 B4 -138.0(3) . . . . ?
B6 B5 B10 B4 -100.8(3) . . . . ?
C1 B5 B10 B12 62.2(3) . . . . ?
B4 B5 B10 B12 100.3(3) . . . . ?
B11 B5 B10 B12 -37.7(3) . . . . ?
B6 B5 B10 B12 -0.6(3) . . . . ?
C1 B5 B10 B9 -1.8(3) . . . . ?
B4 B5 B10 B9 36.2(2) . . . . ?
B11 B5 B10 B9 -101.7(3) . . . . ?
B6 B5 B10 B9 -64.6(3) . . . . ?
C1 B5 B10 B11 99.9(3) . . . . ?
B4 B5 B10 B11 138.0(3) . . . . ?
B6 B5 B10 B11 37.1(2) . . . . ?
B8 B9 B10 B4 100.4(3) . . . . ?
B3 B9 B10 B4 37.0(2) . . . . ?
B12 B9 B10 B4 138.4(3) . . . . ?
B4 B9 B10 B5 -36.6(2) . . . . ?
B8 B9 B10 B5 63.8(3) . . . . ?
B3 B9 B10 B5 0.4(4) . . . . ?
B12 B9 B10 B5 101.7(3) . . . . ?
B4 B9 B10 B12 -138.4(3) . . . . ?
B8 B9 B10 B12 -37.9(3) . . . . ?
B3 B9 B10 B12 -101.3(3) . . . . ?
B4 B9 B10 B11 -100.4(3) . . . . ?
B8 B9 B10 B11 0.0(4) . . . . ?
B3 B9 B10 B11 -63.4(3) . . . . ?
B12 B9 B10 B11 37.9(3) . . . . ?
C2 B7 B11 B6 -39.4(2) . . . . ?
B8 B7 B11 B6 -101.2(3) . . . . ?
B12 B7 B11 B6 -138.6(3) . . . . ?
C2 B7 B11 B5 -0.8(4) . . . . ?
B8 B7 B11 B5 -62.6(3) . . . . ?
B6 B7 B11 B5 38.6(3) . . . . ?
B12 B7 B11 B5 -100.0(3) . . . . ?
C2 B7 B11 B10 61.7(3) . . . . ?
B8 B7 B11 B10 -0.1(4) . . . . ?
B6 B7 B11 B10 101.1(3) . . . . ?
B12 B7 B11 B10 -37.5(3) . . . . ?
C2 B7 B11 B12 99.2(3) . . . . ?
B8 B7 B11 B12 37.4(3) . . . . ?
B6 B7 B11 B12 138.6(3) . . . . ?
C1 B6 B11 B7 98.3(3) . . . . ?
C2 B6 B11 B7 37.8(2) . . . . ?
B5 B6 B11 B7 136.7(3) . . . . ?
C1 B6 B11 B5 -38.4(2) . . . . ?
C2 B6 B11 B5 -98.9(3) . . . . ?
B7 B6 B11 B5 -136.7(3) . . . . ?
C1 B6 B11 B10 -1.5(3) . . . . ?
C2 B6 B11 B10 -62.0(3) . . . . ?
B7 B6 B11 B10 -99.8(3) . . . . ?
B5 B6 B11 B10 36.9(3) . . . . ?
C1 B6 B11 B12 61.2(3) . . . . ?
C2 B6 B11 B12 0.6(3) . . . . ?
B7 B6 B11 B12 -37.2(3) . . . . ?
B5 B6 B11 B12 99.5(3) . . . . ?
C1 B5 B11 B7 0.8(3) . . . . ?
B10 B5 B11 B7 99.8(3) . . . . ?
B4 B5 B11 B7 62.3(3) . . . . ?
B6 B5 B11 B7 -38.6(3) . . . . ?
C1 B5 B11 B6 39.4(2) . . . . ?
B10 B5 B11 B6 138.4(3) . . . . ?
B4 B5 B11 B6 100.9(3) . . . . ?
C1 B5 B11 B10 -99.0(3) . . . . ?
B4 B5 B11 B10 -37.5(2) . . . . ?
B6 B5 B11 B10 -138.4(3) . . . . ?
C1 B5 B11 B12 -62.4(3) . . . . ?
B10 B5 B11 B12 36.6(3) . . . . ?
B4 B5 B11 B12 -0.9(3) . . . . ?
B6 B5 B11 B12 -101.8(3) . . . . ?
B4 B10 B11 B7 -62.8(3) . . . . ?
B5 B10 B11 B7 -100.6(3) . . . . ?
B12 B10 B11 B7 37.9(3) . . . . ?
B9 B10 B11 B7 0.1(4) . . . . ?
B4 B10 B11 B6 0.5(4) . . . . ?
B5 B10 B11 B6 -37.2(3) . . . . ?
B12 B10 B11 B6 101.2(3) . . . . ?
B9 B10 B11 B6 63.4(3) . . . . ?
B4 B10 B11 B5 37.8(2) . . . . ?
B12 B10 B11 B5 138.4(3) . . . . ?
B9 B10 B11 B5 100.7(3) . . . . ?
B4 B10 B11 B12 -100.7(3) . . . . ?
B5 B10 B11 B12 -138.4(3) . . . . ?
B9 B10 B11 B12 -37.8(3) . . . . ?
B4 B10 B12 B8 1.4(4) . . . . ?
B5 B10 B12 B8 -62.5(3) . . . . ?
B9 B10 B12 B8 38.3(3) . . . . ?
B11 B10 B12 B8 -99.9(3) . . . . ?
B4 B10 B12 B7 63.8(3) . . . . ?
B5 B10 B12 B7 0.0(3) . . . . ?
B9 B10 B12 B7 100.7(3) . . . . ?
B11 B10 B12 B7 -37.5(2) . . . . ?
B4 B10 B12 B9 -36.9(3) . . . . ?
B5 B10 B12 B9 -100.7(3) . . . . ?
B11 B10 B12 B9 -138.2(3) . . . . ?
B4 B10 B12 B11 101.3(3) . . . . ?
B5 B10 B12 B11 37.4(2) . . . . ?
B9 B10 B12 B11 138.2(3) . . . . ?
C2 B8 B12 B10 61.7(3) . . . . ?
B7 B8 B12 B10 99.8(3) . . . . ?
B9 B8 B12 B10 -38.3(3) . . . . ?
B3 B8 B12 B10 -2.5(4) . . . . ?
C2 B8 B12 B7 -38.1(2) . . . . ?
B9 B8 B12 B7 -138.0(3) . . . . ?
B3 B8 B12 B7 -102.2(3) . . . . ?
C2 B8 B12 B9 100.0(3) . . . . ?
B7 B8 B12 B9 138.0(3) . . . . ?
B3 B8 B12 B9 35.8(3) . . . . ?
C2 B8 B12 B11 -1.5(3) . . . . ?
B7 B8 B12 B11 36.6(3) . . . . ?
B9 B8 B12 B11 -101.5(3) . . . . ?
B3 B8 B12 B11 -65.7(3) . . . . ?
C2 B7 B12 B10 -62.8(3) . . . . ?
B8 B7 B12 B10 -100.6(3) . . . . ?
B11 B7 B12 B10 37.8(3) . . . . ?
B6 B7 B12 B10 0.6(3) . . . . ?
C2 B7 B12 B8 37.8(2) . . . . ?
B11 B7 B12 B8 138.5(3) . . . . ?
B6 B7 B12 B8 101.2(3) . . . . ?
C2 B7 B12 B9 0.4(4) . . . . ?
B8 B7 B12 B9 -37.4(3) . . . . ?
B11 B7 B12 B9 101.1(3) . . . . ?
B6 B7 B12 B9 63.8(3) . . . . ?
C2 B7 B12 B11 -100.7(3) . . . . ?
B8 B7 B12 B11 -138.5(3) . . . . ?
B6 B7 B12 B11 -37.3(2) . . . . ?
B4 B9 B12 B10 37.1(3) . . . . ?
B8 B9 B12 B10 137.0(3) . . . . ?
B3 B9 B12 B10 101.4(3) . . . . ?
B4 B9 B12 B8 -99.9(3) . . . . ?
B10 B9 B12 B8 -137.0(3) . . . . ?
B3 B9 B12 B8 -35.6(3) . . . . ?
B4 B9 B12 B7 -62.8(3) . . . . ?
B10 B9 B12 B7 -99.9(3) . . . . ?
B8 B9 B12 B7 37.1(3) . . . . ?
B3 B9 B12 B7 1.5(4) . . . . ?
B4 B9 B12 B11 -0.3(4) . . . . ?
B10 B9 B12 B11 -37.4(3) . . . . ?
B8 B9 B12 B11 99.6(3) . . . . ?
B3 B9 B12 B11 63.9(3) . . . . ?
B7 B11 B12 B10 -137.4(3) . . . . ?
B6 B11 B12 B10 -100.2(3) . . . . ?
B5 B11 B12 B10 -36.7(2) . . . . ?
B7 B11 B12 B8 -36.6(3) . . . . ?
B6 B11 B12 B8 0.5(4) . . . . ?
B5 B11 B12 B8 64.1(3) . . . . ?
B10 B11 B12 B8 100.7(3) . . . . ?
B6 B11 B12 B7 37.2(2) . . . . ?
B5 B11 B12 B7 100.7(3) . . . . ?
B10 B11 B12 B7 137.4(3) . . . . ?
B7 B11 B12 B9 -99.9(3) . . . . ?
B6 B11 B12 B9 -62.7(3) . . . . ?
B5 B11 B12 B9 0.8(4) . . . . ?
B10 B11 B12 B9 37.5(3) . . . . ?
B9 B4 C1 C3 149.9(2) . . . . ?
B10 B4 C1 C3 -146.4(3) . . . . ?
B5 B4 C1 C3 -107.6(3) . . . . ?
B3 B4 C1 C3 109.8(3) . . . . ?
B9 B4 C1 C2 0.4(3) . . . . ?
B10 B4 C1 C2 64.0(3) . . . . ?
B5 B4 C1 C2 102.8(2) . . . . ?
B3 B4 C1 C2 -39.8(2) . . . . ?
B9 B4 C1 B5 -102.5(3) . . . . ?
B10 B4 C1 B5 -38.8(2) . . . . ?
B3 B4 C1 B5 -142.6(2) . . . . ?
B9 B4 C1 B6 -65.4(3) . . . . ?
B10 B4 C1 B6 -1.7(3) . . . . ?
B5 B4 C1 B6 37.1(2) . . . . ?
B3 B4 C1 B6 -105.5(3) . . . . ?
B9 B4 C1 B3 40.1(2) . . . . ?
B10 B4 C1 B3 103.8(3) . . . . ?
B5 B4 C1 B3 142.6(2) . . . . ?
B10 B5 C1 C3 150.2(3) . . . . ?
B4 B5 C1 C3 111.6(3) . . . . ?
B11 B5 C1 C3 -146.7(3) . . . . ?
B6 B5 C1 C3 -107.4(3) . . . . ?
B10 B5 C1 C2 -63.6(3) . . . . ?
B4 B5 C1 C2 -102.2(2) . . . . ?
B11 B5 C1 C2 -0.5(3) . . . . ?
B6 B5 C1 C2 38.8(2) . . . . ?
B10 B5 C1 B4 38.7(2) . . . . ?
B11 B5 C1 B4 101.7(3) . . . . ?
B6 B5 C1 B4 141.0(3) . . . . ?
B10 B5 C1 B6 -102.3(3) . . . . ?
B4 B5 C1 B6 -141.0(3) . . . . ?
B11 B5 C1 B6 -39.3(2) . . . . ?
B10 B5 C1 B3 2.7(3) . . . . ?
B4 B5 C1 B3 -35.9(2) . . . . ?
B11 B5 C1 B3 65.8(3) . . . . ?
B6 B5 C1 B3 105.1(3) . . . . ?
C2 B6 C1 C3 -113.7(3) . . . . ?
B11 B6 C1 C3 147.9(3) . . . . ?
B7 B6 C1 C3 -149.9(3) . . . . ?
B5 B6 C1 C3 108.7(3) . . . . ?
B11 B6 C1 C2 -98.3(3) . . . . ?
B7 B6 C1 C2 -36.2(2) . . . . ?
B5 B6 C1 C2 -137.6(3) . . . . ?
C2 B6 C1 B4 100.3(2) . . . . ?
B11 B6 C1 B4 2.0(3) . . . . ?
B7 B6 C1 B4 64.2(3) . . . . ?
B5 B6 C1 B4 -37.3(3) . . . . ?
C2 B6 C1 B5 137.6(3) . . . . ?
B11 B6 C1 B5 39.3(2) . . . . ?
B7 B6 C1 B5 101.4(3) . . . . ?
C2 B6 C1 B3 32.1(2) . . . . ?
B11 B6 C1 B3 -66.2(3) . . . . ?
B7 B6 C1 B3 -4.1(3) . . . . ?
B5 B6 C1 B3 -105.5(3) . . . . ?
C12 B3 C1 C3 3.2(4) . . . . ?
C2 B3 C1 C3 112.8(3) . . . . ?
B8 B3 C1 C3 149.1(3) . . . . ?
B9 B3 C1 C3 -149.2(3) . . . . ?
B4 B3 C1 C3 -110.8(3) . . . . ?
C12 B3 C1 C2 -109.6(3) . . . . ?
B8 B3 C1 C2 36.3(2) . . . . ?
B9 B3 C1 C2 98.0(2) . . . . ?
B4 B3 C1 C2 136.4(2) . . . . ?
C12 B3 C1 B4 113.9(3) . . . . ?
C2 B3 C1 B4 -136.4(2) . . . . ?
B8 B3 C1 B4 -100.2(2) . . . . ?
B9 B3 C1 B4 -38.5(2) . . . . ?
C12 B3 C1 B5 150.0(3) . . . . ?
C2 B3 C1 B5 -100.4(2) . . . . ?
B8 B3 C1 B5 -64.1(3) . . . . ?
B9 B3 C1 B5 -2.4(3) . . . . ?
B4 B3 C1 B5 36.1(2) . . . . ?
C12 B3 C1 B6 -141.6(3) . . . . ?
C2 B3 C1 B6 -32.0(2) . . . . ?
B8 B3 C1 B6 4.3(3) . . . . ?
B9 B3 C1 B6 66.0(3) . . . . ?
B4 B3 C1 B6 104.4(2) . . . . ?
B7 B8 C2 C8 110.6(3) . . . . ?
B12 B8 C2 C8 149.5(3) . . . . ?
B9 B8 C2 C8 -147.3(2) . . . . ?
B3 B8 C2 C8 -107.1(3) . . . . ?
B7 B8 C2 C1 -102.6(3) . . . . ?
B12 B8 C2 C1 -63.8(3) . . . . ?
B9 B8 C2 C1 -0.6(3) . . . . ?
B3 B8 C2 C1 39.7(2) . . . . ?
B12 B8 C2 B7 38.9(2) . . . . ?
B9 B8 C2 B7 102.0(3) . . . . ?
B3 B8 C2 B7 142.3(3) . . . . ?
B7 B8 C2 B6 -36.8(3) . . . . ?
B12 B8 C2 B6 2.0(3) . . . . ?
B9 B8 C2 B6 65.2(3) . . . . ?
B3 B8 C2 B6 105.5(2) . . . . ?
B7 B8 C2 B3 -142.3(3) . . . . ?
B12 B8 C2 B3 -103.4(3) . . . . ?
B9 B8 C2 B3 -40.3(2) . . . . ?
C3 C1 C2 C8 -4.3(4) . . . . ?
B4 C1 C2 C8 144.5(3) . . . . ?
B5 C1 C2 C8 -148.7(3) . . . . ?
B6 C1 C2 C8 -109.5(3) . . . . ?
B3 C1 C2 C8 104.3(3) . . . . ?
C3 C1 C2 B8 -148.7(3) . . . . ?
B4 C1 C2 B8 0.2(3) . . . . ?
B5 C1 C2 B8 66.9(3) . . . . ?
B6 C1 C2 B8 106.2(3) . . . . ?
B3 C1 C2 B8 -40.1(2) . . . . ?
C3 C1 C2 B7 144.4(3) . . . . ?
B4 C1 C2 B7 -66.8(3) . . . . ?
B5 C1 C2 B7 0.0(3) . . . . ?
B6 C1 C2 B7 39.2(2) . . . . ?
B3 C1 C2 B7 -107.0(3) . . . . ?
C3 C1 C2 B6 105.2(3) . . . . ?
B4 C1 C2 B6 -106.0(2) . . . . ?
B5 C1 C2 B6 -39.2(2) . . . . ?
B3 C1 C2 B6 -146.2(2) . . . . ?
C3 C1 C2 B3 -108.6(3) . . . . ?
B4 C1 C2 B3 40.2(2) . . . . ?
B5 C1 C2 B3 107.0(2) . . . . ?
B6 C1 C2 B3 146.2(2) . . . . ?
B8 B7 C2 C8 -107.4(3) . . . . ?
B11 B7 C2 C8 150.6(3) . . . . ?
B6 B7 C2 C8 111.3(3) . . . . ?
B12 B7 C2 C8 -145.8(3) . . . . ?
B11 B7 C2 B8 -102.1(3) . . . . ?
B6 B7 C2 B8 -141.3(3) . . . . ?
B12 B7 C2 B8 -38.5(3) . . . . ?
B8 B7 C2 C1 102.6(3) . . . . ?
B11 B7 C2 C1 0.5(3) . . . . ?
B6 B7 C2 C1 -38.8(2) . . . . ?
B12 B7 C2 C1 64.1(3) . . . . ?
B8 B7 C2 B6 141.3(3) . . . . ?
B11 B7 C2 B6 39.3(3) . . . . ?
B12 B7 C2 B6 102.9(3) . . . . ?
B8 B7 C2 B3 36.2(3) . . . . ?
B11 B7 C2 B3 -65.8(3) . . . . ?
B6 B7 C2 B3 -105.1(3) . . . . ?
B12 B7 C2 B3 -2.3(3) . . . . ?
C1 B6 C2 C8 113.3(3) . . . . ?
B11 B6 C2 C8 -147.9(3) . . . . ?
B7 B6 C2 C8 -109.1(3) . . . . ?
B5 B6 C2 C8 149.7(3) . . . . ?
C1 B6 C2 B8 -100.5(3) . . . . ?
B11 B6 C2 B8 -1.7(3) . . . . ?
B7 B6 C2 B8 37.1(3) . . . . ?
B5 B6 C2 B8 -64.1(3) . . . . ?
B11 B6 C2 C1 98.8(2) . . . . ?
B7 B6 C2 C1 137.6(3) . . . . ?
B5 B6 C2 C1 36.4(2) . . . . ?
C1 B6 C2 B7 -137.6(3) . . . . ?
B11 B6 C2 B7 -38.7(2) . . . . ?
B5 B6 C2 B7 -101.2(3) . . . . ?
C1 B6 C2 B3 -32.1(2) . . . . ?
B11 B6 C2 B3 66.7(3) . . . . ?
B7 B6 C2 B3 105.4(3) . . . . ?
B5 B6 C2 B3 4.3(3) . . . . ?
C12 B3 C2 C8 -6.6(4) . . . . ?
C1 B3 C2 C8 -115.0(3) . . . . ?
B8 B3 C2 C8 108.3(3) . . . . ?
B9 B3 C2 C8 147.8(3) . . . . ?
B4 B3 C2 C8 -151.6(3) . . . . ?
C12 B3 C2 B8 -114.9(3) . . . . ?
C1 B3 C2 B8 136.7(2) . . . . ?
B9 B3 C2 B8 39.5(2) . . . . ?
B4 B3 C2 B8 100.1(3) . . . . ?
C12 B3 C2 C1 108.3(3) . . . . ?
B8 B3 C2 C1 -136.7(2) . . . . ?
B9 B3 C2 C1 -97.3(2) . . . . ?
B4 B3 C2 C1 -36.6(2) . . . . ?
C12 B3 C2 B7 -151.3(3) . . . . ?
C1 B3 C2 B7 100.3(3) . . . . ?
B8 B3 C2 B7 -36.4(3) . . . . ?
B9 B3 C2 B7 3.1(3) . . . . ?
B4 B3 C2 B7 63.7(3) . . . . ?
C12 B3 C2 B6 140.3(3) . . . . ?
C1 B3 C2 B6 32.0(2) . . . . ?
B8 B3 C2 B6 -104.7(3) . . . . ?
B9 B3 C2 B6 -65.2(3) . . . . ?
B4 B3 C2 B6 -4.6(3) . . . . ?
C7 N1 C3 C4 -0.2(5) . . . . ?
C7 N1 C3 C1 -179.6(3) . . . . ?
C2 C1 C3 N1 -5.4(4) . . . . ?
B4 C1 C3 N1 -151.1(3) . . . . ?
B5 C1 C3 N1 136.4(3) . . . . ?
B6 C1 C3 N1 65.6(3) . . . . ?
B3 C1 C3 N1 -78.1(3) . . . . ?
C2 C1 C3 C4 175.1(3) . . . . ?
B4 C1 C3 C4 29.5(4) . . . . ?
B5 C1 C3 C4 -43.1(4) . . . . ?
B6 C1 C3 C4 -113.8(3) . . . . ?
B3 C1 C3 C4 102.5(3) . . . . ?
N1 C3 C4 C5 -0.2(5) . . . . ?
C1 C3 C4 C5 179.2(3) . . . . ?
C3 C4 C5 C6 0.7(5) . . . . ?
C4 C5 C6 C7 -0.8(6) . . . . ?
C3 N1 C7 C6 0.1(6) . . . . ?
C5 C6 C7 N1 0.4(7) . . . . ?
B8 C2 C8 C9 -127.9(3) . . . . ?
C1 C2 C8 C9 90.1(3) . . . . ?
B7 C2 C8 C9 -55.8(4) . . . . ?
B6 C2 C8 C9 17.0(4) . . . . ?
B3 C2 C8 C9 161.5(3) . . . . ?
C2 C8 C9 C10 179.5(3) . . . . ?
C8 C9 C10 C11 -173.5(4) . . . . ?
C2 B3 C12 C17 -116.8(3) . . . . ?
C1 B3 C12 C17 -48.6(4) . . . . ?
B8 B3 C12 C17 173.6(3) . . . . ?
B9 B3 C12 C17 96.0(4) . . . . ?
B4 B3 C12 C17 20.6(5) . . . . ?
C2 B3 C12 C13 64.9(4) . . . . ?
C1 B3 C12 C13 133.0(3) . . . . ?
B8 B3 C12 C13 -4.8(5) . . . . ?
B9 B3 C12 C13 -82.4(4) . . . . ?
B4 B3 C12 C13 -157.8(3) . . . . ?
C17 C12 C13 C14 1.1(5) . . . . ?
B3 C12 C13 C14 179.6(3) . . . . ?
C12 C13 C14 C15 -0.5(5) . . . . ?
C12 C13 C14 C18 -179.8(3) . . . . ?
C13 C14 C15 C16 -0.6(5) . . . . ?
C18 C14 C15 C16 178.6(3) . . . . ?
C13 C14 C15 C19 179.3(3) . . . . ?
C18 C14 C15 C19 -1.5(5) . . . . ?
C14 C15 C16 C17 1.1(5) . . . . ?
C19 C15 C16 C17 -178.8(3) . . . . ?
C15 C16 C17 C12 -0.5(5) . . . . ?
C13 C12 C17 C16 -0.6(5) . . . . ?
B3 C12 C17 C16 -179.1(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.198
_refine_diff_density_min         -0.262
_refine_diff_density_rms         0.047
