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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ydkr
_database_code_depnum_ccdc_archive 'CCDC 1556483'
_audit_update_record             
;
2017-06-16 deposited with the CCDC.
2017-09-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 H24 B10'
_chemical_formula_weight         396.51

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/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                   11.9314(8)
_cell_length_b                   12.5281(8)
_cell_length_c                   14.8597(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.122(7)
_cell_angle_gamma                90.00
_cell_volume                     2193.1(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9993
_cell_measurement_theta_min      2.63
_cell_measurement_theta_max      27.86

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.40
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.201
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             824
_exptl_absorpt_coefficient_mu    0.061
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.9529
_exptl_absorpt_correction_T_max  0.9760
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku R-AXISIP'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            20669
_diffrn_reflns_av_R_equivalents  0.0766
_diffrn_reflns_av_sigmaI/netI    0.0957
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.22
_diffrn_reflns_theta_max         27.48
_reflns_number_total             5026
_reflns_number_gt                3646
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0785P)²+0.1777P] 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         5026
_refine_ls_number_parameters     343
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0790
_refine_ls_R_factor_gt           0.0563
_refine_ls_wR_factor_ref         0.1552
_refine_ls_wR_factor_gt          0.1412
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      1.055
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.27894(11) 0.29628(11) 0.16207(9) 0.0385(3) Uani 1 1 d . . .
C14 C 0.26981(11) 0.37087(11) 0.08893(10) 0.0395(3) Uani 1 1 d . . .
C13 C 0.17910(12) 0.44508(11) 0.06573(10) 0.0445(4) Uani 1 1 d . . .
H9 H 0.1205 0.4462 0.1002 0.041(4) Uiso 1 1 calc R . .
C12 C 0.17554(14) 0.51403(13) -0.00500(11) 0.0531(4) Uani 1 1 d . . .
H8 H 0.1162 0.5628 -0.0166 0.059(5) Uiso 1 1 calc R . .
C11 C 0.26013(15) 0.51297(14) -0.06105(12) 0.0577(4) Uani 1 1 d . . .
H7 H 0.2543 0.5573 -0.1118 0.072(6) Uiso 1 1 calc R . .
C10 C 0.34951(14) 0.44712(13) -0.04036(11) 0.0530(4) Uani 1 1 d . . .
H6 H 0.4058 0.4468 -0.0771 0.058(5) Uiso 1 1 calc R . .
C9 C 0.35991(12) 0.37813(11) 0.03616(10) 0.0440(3) Uani 1 1 d . . .
C8 C 0.45876(12) 0.31969(12) 0.06201(11) 0.0503(4) Uani 1 1 d . . .
H5 H 0.5132 0.3177 0.0236 0.057(5) Uiso 1 1 calc R . .
C7 C 0.47782(12) 0.26466(12) 0.14330(11) 0.0484(4) Uani 1 1 d . . .
C6 C 0.58609(14) 0.21801(15) 0.17517(14) 0.0640(5) Uani 1 1 d . . .
H4 H 0.6424 0.2210 0.1385 0.085(7) Uiso 1 1 calc R . .
C5 C 0.60856(15) 0.16996(16) 0.25674(15) 0.0710(5) Uani 1 1 d . . .
H3 H 0.6789 0.1385 0.2757 0.083(6) Uiso 1 1 calc R . .
C4 C 0.52445(14) 0.16765(15) 0.31336(13) 0.0627(5) Uani 1 1 d . . .
H2 H 0.5412 0.1377 0.3712 0.076(6) Uiso 1 1 calc R . .
C3 C 0.41935(13) 0.20826(13) 0.28503(11) 0.0508(4) Uani 1 1 d . . .
H1 H 0.3658 0.2054 0.3241 0.056(5) Uiso 1 1 calc R . .
C2 C 0.38855(12) 0.25511(11) 0.19725(10) 0.0428(3) Uani 1 1 d . . .
C17 C 0.19021(12) 0.09387(12) 0.05695(10) 0.0453(4) Uani 1 1 d . . .
C18 C 0.27203(15) 0.01577(15) 0.07807(13) 0.0642(5) Uani 1 1 d . . .
H10 H 0.2831 -0.0152 0.1357 0.086(7) Uiso 1 1 calc R . .
C19 C 0.33736(18) -0.01657(19) 0.01444(16) 0.0820(6) Uani 1 1 d . . .
H11 H 0.3916 -0.0697 0.0292 0.114(8) Uiso 1 1 calc R . .
C20 C 0.32313(19) 0.02872(18) -0.07005(17) 0.0813(6) Uani 1 1 d . . .
H12 H 0.3690 0.0083 -0.1121 0.108(8) Uiso 1 1 calc R . .
C21 C 0.2415(2) 0.10385(17) -0.09220(15) 0.0808(6) Uani 1 1 d . . .
H13 H 0.2302 0.1337 -0.1502 0.107(8) Uiso 1 1 calc R . .
C22 C 0.17504(17) 0.13626(14) -0.02934(12) 0.0627(5) Uani 1 1 d . . .
H14 H 0.1192 0.1876 -0.0456 0.081(6) Uiso 1 1 calc R . .
C15 C 0.17355(11) 0.24937(11) 0.19160(10) 0.0402(3) Uani 1 1 d . . .
C16 C 0.12166(11) 0.13088(11) 0.12730(10) 0.0423(3) Uani 1 1 d . . .
B1 B 0.18362(15) 0.12054(14) 0.23863(12) 0.0447(4) Uani 1 1 d . . .
H15 H 0.2643(12) 0.0822(12) 0.2530(10) 0.043(4) Uiso 1 1 d . . .
B5 B 0.06147(16) 0.04569(15) 0.19503(14) 0.0528(5) Uani 1 1 d . . .
H19 H 0.0741(13) -0.0379(14) 0.1826(11) 0.059(5) Uiso 1 1 d . . .
B9 B -0.02291(15) 0.12688(15) 0.11379(15) 0.0523(5) Uani 1 1 d . . .
H23 H -0.0644(13) 0.0967(14) 0.0483(11) 0.056(4) Uiso 1 1 d . . .
B4 B 0.05030(13) 0.24961(14) 0.11063(13) 0.0436(4) Uani 1 1 d . . .
H18 H 0.0513(11) 0.2893(12) 0.0461(10) 0.043(4) Uiso 1 1 d . . .
B3 B 0.05775(15) 0.31449(15) 0.21802(13) 0.0488(4) Uani 1 1 d . . .
H17 H 0.0618(12) 0.4048(14) 0.2216(11) 0.056(4) Uiso 1 1 d . . .
B2 B 0.14306(16) 0.23297(15) 0.29867(13) 0.0500(4) Uani 1 1 d . . .
H16 H 0.2019(14) 0.2668(13) 0.3569(12) 0.060(5) Uiso 1 1 d . . .
B6 B 0.07278(16) 0.10897(16) 0.30246(14) 0.0557(5) Uani 1 1 d . . .
H20 H 0.0835(13) 0.0636(14) 0.3666(11) 0.064(5) Uiso 1 1 d . . .
B10 B -0.05642(16) 0.11385(17) 0.22554(15) 0.0590(5) Uani 1 1 d . . .
H24 H -0.1305(14) 0.0678(15) 0.2373(12) 0.069(5) Uiso 1 1 d . . .
B8 B -0.06408(15) 0.24016(16) 0.17155(15) 0.0551(5) Uani 1 1 d . . .
H22 H -0.1451(14) 0.2806(14) 0.1456(11) 0.063(5) Uiso 1 1 d . . .
B7 B -0.00738(17) 0.22809(17) 0.28842(15) 0.0586(5) Uani 1 1 d . . .
H21 H -0.0490(14) 0.2616(14) 0.3436(12) 0.066(5) Uiso 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C14 1.424(2) . ?
C1 C2 1.4258(19) . ?
C1 C15 1.5146(19) . ?
C14 C13 1.427(2) . ?
C14 C9 1.430(2) . ?
C13 C12 1.356(2) . ?
C12 C11 1.407(2) . ?
C11 C10 1.345(2) . ?
C10 C9 1.418(2) . ?
C9 C8 1.390(2) . ?
C8 C7 1.378(2) . ?
C7 C6 1.429(2) . ?
C7 C2 1.436(2) . ?
C6 C5 1.342(3) . ?
C5 C4 1.408(3) . ?
C4 C3 1.357(2) . ?
C3 C2 1.424(2) . ?
C17 C22 1.373(2) . ?
C17 C18 1.383(2) . ?
C17 C16 1.499(2) . ?
C18 C19 1.378(3) . ?
C19 C20 1.364(3) . ?
C20 C21 1.357(3) . ?
C21 C22 1.379(3) . ?
C15 B2 1.700(2) . ?
C15 B3 1.703(2) . ?
C15 B4 1.746(2) . ?
C15 B1 1.755(2) . ?
C15 C16 1.820(2) . ?
C16 B5 1.702(2) . ?
C16 B9 1.705(2) . ?
C16 B1 1.707(2) . ?
C16 B4 1.712(2) . ?
B1 B6 1.751(2) . ?
B1 B5 1.767(3) . ?
B1 B2 1.775(3) . ?
B5 B10 1.765(3) . ?
B5 B9 1.766(3) . ?
B5 B6 1.768(3) . ?
B9 B8 1.768(3) . ?
B9 B4 1.773(2) . ?
B9 B10 1.776(3) . ?
B4 B8 1.757(2) . ?
B4 B3 1.781(3) . ?
B3 B7 1.768(3) . ?
B3 B2 1.769(3) . ?
B3 B8 1.772(3) . ?
B2 B6 1.770(3) . ?
B2 B7 1.778(3) . ?
B6 B7 1.767(3) . ?
B6 B10 1.769(3) . ?
B10 B7 1.758(3) . ?
B10 B8 1.770(3) . ?
B8 B7 1.767(3) . ?

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
C14 C1 C2 118.15(12) . . ?
C14 C1 C15 120.60(12) . . ?
C2 C1 C15 120.58(12) . . ?
C1 C14 C13 125.11(13) . . ?
C1 C14 C9 119.13(13) . . ?
C13 C14 C9 115.68(13) . . ?
C12 C13 C14 122.12(14) . . ?
C13 C12 C11 121.04(15) . . ?
C10 C11 C12 119.19(15) . . ?
C11 C10 C9 121.51(15) . . ?
C8 C9 C10 120.35(14) . . ?
C8 C9 C14 119.58(14) . . ?
C10 C9 C14 120.03(14) . . ?
C7 C8 C9 121.39(14) . . ?
C8 C7 C6 120.68(16) . . ?
C8 C7 C2 119.81(13) . . ?
C6 C7 C2 119.51(16) . . ?
C5 C6 C7 121.58(18) . . ?
C6 C5 C4 119.32(16) . . ?
C3 C4 C5 121.20(18) . . ?
C4 C3 C2 122.02(16) . . ?
C3 C2 C1 124.98(14) . . ?
C3 C2 C7 116.04(13) . . ?
C1 C2 C7 118.92(13) . . ?
C22 C17 C18 118.01(15) . . ?
C22 C17 C16 121.72(14) . . ?
C18 C17 C16 120.27(14) . . ?
C19 C18 C17 120.53(19) . . ?
C20 C19 C18 120.5(2) . . ?
C21 C20 C19 119.5(2) . . ?
C20 C21 C22 120.5(2) . . ?
C17 C22 C21 120.93(18) . . ?
C1 C15 B2 128.95(12) . . ?
C1 C15 B3 128.46(12) . . ?
B2 C15 B3 62.63(10) . . ?
C1 C15 B4 116.55(11) . . ?
B2 C15 B4 111.30(12) . . ?
B3 C15 B4 62.14(10) . . ?
C1 C15 B1 117.68(11) . . ?
B2 C15 B1 61.80(10) . . ?
B3 C15 B1 110.82(11) . . ?
B4 C15 B1 105.84(11) . . ?
C1 C15 C16 113.17(11) . . ?
B2 C15 C16 106.70(11) . . ?
B3 C15 C16 106.91(11) . . ?
B4 C15 C16 57.35(8) . . ?
B1 C15 C16 56.99(8) . . ?
C17 C16 B5 123.11(13) . . ?
C17 C16 B9 124.21(13) . . ?
B5 C16 B9 62.45(10) . . ?
C17 C16 B1 116.88(12) . . ?
B5 C16 B1 62.46(10) . . ?
B9 C16 B1 112.74(12) . . ?
C17 C16 B4 118.78(12) . . ?
B5 C16 B4 112.55(12) . . ?
B9 C16 B4 62.48(9) . . ?
B1 C16 B4 109.59(12) . . ?
C17 C16 C15 116.14(11) . . ?
B5 C16 C15 109.96(12) . . ?
B9 C16 C15 109.84(11) . . ?
B1 C16 C15 59.60(9) . . ?
B4 C16 C15 59.16(9) . . ?
C16 B1 B6 106.44(12) . . ?
C16 B1 C15 63.41(9) . . ?
B6 B1 C15 106.37(12) . . ?
C16 B1 B5 58.64(10) . . ?
B6 B1 B5 60.33(11) . . ?
C15 B1 B5 109.97(12) . . ?
C16 B1 B2 108.44(12) . . ?
B6 B1 B2 60.27(11) . . ?
C15 B1 B2 57.57(9) . . ?
B5 B1 B2 109.31(13) . . ?
C16 B5 B10 106.06(13) . . ?
C16 B5 B9 58.87(9) . . ?
B10 B5 B9 60.39(11) . . ?
C16 B5 B1 58.89(9) . . ?
B10 B5 B1 107.07(14) . . ?
B9 B5 B1 107.01(12) . . ?
C16 B5 B6 105.89(13) . . ?
B10 B5 B6 60.07(12) . . ?
B9 B5 B6 108.21(14) . . ?
B1 B5 B6 59.38(11) . . ?
C16 B9 B5 58.68(9) . . ?
C16 B9 B8 105.84(13) . . ?
B5 B9 B8 107.61(15) . . ?
C16 B9 B4 58.95(9) . . ?
B5 B9 B4 106.72(12) . . ?
B8 B9 B4 59.51(11) . . ?
C16 B9 B10 105.43(13) . . ?
B5 B9 B10 59.77(11) . . ?
B8 B9 B10 59.92(12) . . ?
B4 B9 B10 106.82(15) . . ?
C16 B4 C15 63.49(9) . . ?
C16 B4 B8 106.02(12) . . ?
C15 B4 B8 106.43(13) . . ?
C16 B4 B9 58.57(9) . . ?
C15 B4 B9 110.18(12) . . ?
B8 B4 B9 60.11(11) . . ?
C16 B4 B3 108.29(12) . . ?
C15 B4 B3 57.74(9) . . ?
B8 B4 B3 60.10(11) . . ?
B9 B4 B3 109.09(13) . . ?
C15 B3 B7 106.97(12) . . ?
C15 B3 B2 58.60(9) . . ?
B7 B3 B2 60.36(11) . . ?
C15 B3 B8 107.69(13) . . ?
B7 B3 B8 59.90(12) . . ?
B2 B3 B8 108.00(13) . . ?
C15 B3 B4 60.12(9) . . ?
B7 B3 B4 106.65(14) . . ?
B2 B3 B4 106.58(12) . . ?
B8 B3 B4 59.30(11) . . ?
C15 B2 B3 58.77(9) . . ?
C15 B2 B6 107.97(13) . . ?
B3 B2 B6 107.67(14) . . ?
C15 B2 B1 60.63(9) . . ?
B3 B2 B1 106.92(13) . . ?
B6 B2 B1 59.20(11) . . ?
C15 B2 B7 106.67(13) . . ?
B3 B2 B7 59.81(10) . . ?
B6 B2 B7 59.73(11) . . ?
B1 B2 B7 106.35(14) . . ?
B1 B6 B7 107.89(13) . . ?
B1 B6 B5 60.29(10) . . ?
B7 B6 B5 108.04(14) . . ?
B1 B6 B10 107.62(14) . . ?
B7 B6 B10 59.63(12) . . ?
B5 B6 B10 59.87(12) . . ?
B1 B6 B2 60.53(10) . . ?
B7 B6 B2 60.35(11) . . ?
B5 B6 B2 109.48(13) . . ?
B10 B6 B2 108.53(14) . . ?
B7 B10 B5 108.59(14) . . ?
B7 B10 B6 60.14(12) . . ?
B5 B10 B6 60.05(11) . . ?
B7 B10 B8 60.13(12) . . ?
B5 B10 B8 107.59(13) . . ?
B6 B10 B8 107.52(14) . . ?
B7 B10 B9 108.47(14) . . ?
B5 B10 B9 59.85(11) . . ?
B6 B10 B9 107.77(13) . . ?
B8 B10 B9 59.81(11) . . ?
B4 B8 B7 107.72(13) . . ?
B4 B8 B9 60.38(10) . . ?
B7 B8 B9 108.41(14) . . ?
B4 B8 B10 107.77(13) . . ?
B7 B8 B10 59.60(12) . . ?
B9 B8 B10 60.26(12) . . ?
B4 B8 B3 60.60(10) . . ?
B7 B8 B3 59.96(11) . . ?
B9 B8 B3 109.71(12) . . ?
B10 B8 B3 108.24(14) . . ?
B10 B7 B6 60.23(12) . . ?
B10 B7 B8 60.27(12) . . ?
B6 B7 B8 107.70(15) . . ?
B10 B7 B3 108.93(15) . . ?
B6 B7 B3 107.84(13) . . ?
B8 B7 B3 60.14(11) . . ?
B10 B7 B2 108.66(14) . . ?
B6 B7 B2 59.92(11) . . ?
B8 B7 B2 107.77(13) . . ?
B3 B7 B2 59.83(10) . . ?

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
C2 C1 C14 C13 -158.12(13) . . . . ?
C15 C1 C14 C13 31.1(2) . . . . ?
C2 C1 C14 C9 18.33(19) . . . . ?
C15 C1 C14 C9 -152.40(13) . . . . ?
C1 C14 C13 C12 -179.94(14) . . . . ?
C9 C14 C13 C12 3.5(2) . . . . ?
C14 C13 C12 C11 2.2(2) . . . . ?
C13 C12 C11 C10 -4.3(2) . . . . ?
C12 C11 C10 C9 0.5(2) . . . . ?
C11 C10 C9 C8 -172.79(15) . . . . ?
C11 C10 C9 C14 5.3(2) . . . . ?
C1 C14 C9 C8 -5.8(2) . . . . ?
C13 C14 C9 C8 171.01(13) . . . . ?
C1 C14 C9 C10 176.15(13) . . . . ?
C13 C14 C9 C10 -7.07(19) . . . . ?
C10 C9 C8 C7 170.23(14) . . . . ?
C14 C9 C8 C7 -7.8(2) . . . . ?
C9 C8 C7 C6 -170.81(15) . . . . ?
C9 C8 C7 C2 8.4(2) . . . . ?
C8 C7 C6 C5 175.74(17) . . . . ?
C2 C7 C6 C5 -3.5(3) . . . . ?
C7 C6 C5 C4 -1.6(3) . . . . ?
C6 C5 C4 C3 3.4(3) . . . . ?
C5 C4 C3 C2 0.0(3) . . . . ?
C4 C3 C2 C1 177.98(15) . . . . ?
C4 C3 C2 C7 -4.8(2) . . . . ?
C14 C1 C2 C3 159.35(14) . . . . ?
C15 C1 C2 C3 -29.9(2) . . . . ?
C14 C1 C2 C7 -17.75(19) . . . . ?
C15 C1 C2 C7 152.98(13) . . . . ?
C8 C7 C2 C3 -172.74(14) . . . . ?
C6 C7 C2 C3 6.5(2) . . . . ?
C8 C7 C2 C1 4.6(2) . . . . ?
C6 C7 C2 C1 -176.17(14) . . . . ?
C22 C17 C18 C19 1.2(3) . . . . ?
C16 C17 C18 C19 -178.28(17) . . . . ?
C17 C18 C19 C20 0.7(3) . . . . ?
C18 C19 C20 C21 -2.0(3) . . . . ?
C19 C20 C21 C22 1.6(3) . . . . ?
C18 C17 C22 C21 -1.7(3) . . . . ?
C16 C17 C22 C21 177.78(17) . . . . ?
C20 C21 C22 C17 0.3(3) . . . . ?
C14 C1 C15 B2 -134.80(15) . . . . ?
C2 C1 C15 B2 54.7(2) . . . . ?
C14 C1 C15 B3 -51.3(2) . . . . ?
C2 C1 C15 B3 138.22(15) . . . . ?
C14 C1 C15 B4 23.04(18) . . . . ?
C2 C1 C15 B4 -147.46(13) . . . . ?
C14 C1 C15 B1 150.39(13) . . . . ?
C2 C1 C15 B1 -20.11(19) . . . . ?
C14 C1 C15 C16 86.79(15) . . . . ?
C2 C1 C15 C16 -83.71(15) . . . . ?
C22 C17 C16 B5 134.80(16) . . . . ?
C18 C17 C16 B5 -45.8(2) . . . . ?
C22 C17 C16 B9 57.8(2) . . . . ?
C18 C17 C16 B9 -122.82(16) . . . . ?
C22 C17 C16 B1 -151.95(15) . . . . ?
C18 C17 C16 B1 27.5(2) . . . . ?
C22 C17 C16 B4 -16.9(2) . . . . ?
C18 C17 C16 B4 162.48(14) . . . . ?
C22 C17 C16 C15 -84.49(17) . . . . ?
C18 C17 C16 C15 94.94(16) . . . . ?
C1 C15 C16 C17 1.73(16) . . . . ?
B2 C15 C16 C17 -145.66(12) . . . . ?
B3 C15 C16 C17 148.57(12) . . . . ?
B4 C15 C16 C17 109.37(14) . . . . ?
B1 C15 C16 C17 -107.22(13) . . . . ?
C1 C15 C16 B5 147.38(12) . . . . ?
B2 C15 C16 B5 -0.01(14) . . . . ?
B3 C15 C16 B5 -65.78(14) . . . . ?
B4 C15 C16 B5 -104.98(13) . . . . ?
B1 C15 C16 B5 38.43(11) . . . . ?
C1 C15 C16 B9 -145.71(12) . . . . ?
B2 C15 C16 B9 66.91(14) . . . . ?
B3 C15 C16 B9 1.14(15) . . . . ?
B4 C15 C16 B9 -38.06(12) . . . . ?
B1 C15 C16 B9 105.35(13) . . . . ?
C1 C15 C16 B1 108.94(13) . . . . ?
B2 C15 C16 B1 -38.44(11) . . . . ?
B3 C15 C16 B1 -104.21(12) . . . . ?
B4 C15 C16 B1 -143.41(12) . . . . ?
C1 C15 C16 B4 -107.65(13) . . . . ?
B2 C15 C16 B4 104.97(12) . . . . ?
B3 C15 C16 B4 39.20(11) . . . . ?
B1 C15 C16 B4 143.41(12) . . . . ?
C17 C16 B1 B6 -153.60(13) . . . . ?
B5 C16 B1 B6 -38.35(12) . . . . ?
B9 C16 B1 B6 0.02(16) . . . . ?
B4 C16 B1 B6 67.52(14) . . . . ?
C15 C16 B1 B6 100.43(12) . . . . ?
C17 C16 B1 C15 105.97(13) . . . . ?
B5 C16 B1 C15 -138.78(12) . . . . ?
B9 C16 B1 C15 -100.41(12) . . . . ?
B4 C16 B1 C15 -32.90(11) . . . . ?
C17 C16 B1 B5 -115.24(14) . . . . ?
B9 C16 B1 B5 38.37(13) . . . . ?
B4 C16 B1 B5 105.88(13) . . . . ?
C15 C16 B1 B5 138.78(12) . . . . ?
C17 C16 B1 B2 142.93(13) . . . . ?
B5 C16 B1 B2 -101.83(14) . . . . ?
B9 C16 B1 B2 -63.46(16) . . . . ?
B4 C16 B1 B2 4.05(16) . . . . ?
C15 C16 B1 B2 36.96(11) . . . . ?
C1 C15 B1 C16 -100.89(13) . . . . ?
B2 C15 B1 C16 137.49(12) . . . . ?
B3 C15 B1 C16 97.13(12) . . . . ?
B4 C15 B1 C16 31.44(11) . . . . ?
C1 C15 B1 B6 158.57(13) . . . . ?
B2 C15 B1 B6 36.95(13) . . . . ?
B3 C15 B1 B6 -3.41(16) . . . . ?
B4 C15 B1 B6 -69.09(15) . . . . ?
C16 C15 B1 B6 -100.54(13) . . . . ?
C1 C15 B1 B5 -137.67(13) . . . . ?
B2 C15 B1 B5 100.71(14) . . . . ?
B3 C15 B1 B5 60.35(16) . . . . ?
B4 C15 B1 B5 -5.33(16) . . . . ?
C16 C15 B1 B5 -36.78(11) . . . . ?
C1 C15 B1 B2 121.62(14) . . . . ?
B3 C15 B1 B2 -40.36(13) . . . . ?
B4 C15 B1 B2 -106.05(13) . . . . ?
C16 C15 B1 B2 -137.49(12) . . . . ?
C17 C16 B5 B10 -153.87(14) . . . . ?
B9 C16 B5 B10 -39.23(14) . . . . ?
B1 C16 B5 B10 100.55(15) . . . . ?
B4 C16 B5 B10 -0.57(18) . . . . ?
C15 C16 B5 B10 63.34(15) . . . . ?
C17 C16 B5 B9 -114.64(16) . . . . ?
B1 C16 B5 B9 139.78(14) . . . . ?
B4 C16 B5 B9 38.66(13) . . . . ?
C15 C16 B5 B9 102.58(13) . . . . ?
C17 C16 B5 B1 105.58(15) . . . . ?
B9 C16 B5 B1 -139.78(14) . . . . ?
B4 C16 B5 B1 -101.12(13) . . . . ?
C15 C16 B5 B1 -37.20(10) . . . . ?
C17 C16 B5 B6 143.38(14) . . . . ?
B9 C16 B5 B6 -101.98(15) . . . . ?
B1 C16 B5 B6 37.80(12) . . . . ?
B4 C16 B5 B6 -63.32(16) . . . . ?
C15 C16 B5 B6 0.59(15) . . . . ?
B6 B1 B5 C16 136.77(13) . . . . ?
C15 B1 B5 C16 38.82(11) . . . . ?
B2 B1 B5 C16 100.31(13) . . . . ?
C16 B1 B5 B10 -98.78(14) . . . . ?
B6 B1 B5 B10 37.99(13) . . . . ?
C15 B1 B5 B10 -59.96(16) . . . . ?
B2 B1 B5 B10 1.53(17) . . . . ?
C16 B1 B5 B9 -35.31(12) . . . . ?
B6 B1 B5 B9 101.46(15) . . . . ?
C15 B1 B5 B9 3.51(17) . . . . ?
B2 B1 B5 B9 65.00(16) . . . . ?
C16 B1 B5 B6 -136.77(13) . . . . ?
C15 B1 B5 B6 -97.94(13) . . . . ?
B2 B1 B5 B6 -36.46(12) . . . . ?
C17 C16 B9 B5 112.98(16) . . . . ?
B1 C16 B9 B5 -38.38(13) . . . . ?
B4 C16 B9 B5 -139.42(14) . . . . ?
C15 C16 B9 B5 -102.77(13) . . . . ?
C17 C16 B9 B8 -145.74(14) . . . . ?
B5 C16 B9 B8 101.28(15) . . . . ?
B1 C16 B9 B8 62.90(16) . . . . ?
B4 C16 B9 B8 -38.14(12) . . . . ?
C15 C16 B9 B8 -1.50(16) . . . . ?
C17 C16 B9 B4 -107.60(15) . . . . ?
B5 C16 B9 B4 139.42(14) . . . . ?
B1 C16 B9 B4 101.04(13) . . . . ?
C15 C16 B9 B4 36.64(11) . . . . ?
C17 C16 B9 B10 151.78(14) . . . . ?
B5 C16 B9 B10 38.80(13) . . . . ?
B1 C16 B9 B10 0.42(17) . . . . ?
B4 C16 B9 B10 -100.62(15) . . . . ?
C15 C16 B9 B10 -63.97(14) . . . . ?
B10 B5 B9 C16 135.64(15) . . . . ?
B1 B5 B9 C16 35.32(12) . . . . ?
B6 B5 B9 C16 97.93(14) . . . . ?
C16 B5 B9 B8 -98.17(13) . . . . ?
B10 B5 B9 B8 37.48(13) . . . . ?
B1 B5 B9 B8 -62.85(16) . . . . ?
B6 B5 B9 B8 -0.24(16) . . . . ?
C16 B5 B9 B4 -35.58(12) . . . . ?
B10 B5 B9 B4 100.06(16) . . . . ?
B1 B5 B9 B4 -0.26(18) . . . . ?
B6 B5 B9 B4 62.34(16) . . . . ?
C16 B5 B9 B10 -135.64(15) . . . . ?
B1 B5 B9 B10 -100.32(15) . . . . ?
B6 B5 B9 B10 -37.71(13) . . . . ?
C17 C16 B4 C15 -104.91(13) . . . . ?
B5 C16 B4 C15 100.52(13) . . . . ?
B9 C16 B4 C15 139.17(13) . . . . ?
B1 C16 B4 C15 33.07(11) . . . . ?
C17 C16 B4 B8 154.38(13) . . . . ?
B5 C16 B4 B8 -0.19(17) . . . . ?
B9 C16 B4 B8 38.46(13) . . . . ?
B1 C16 B4 B8 -67.63(15) . . . . ?
C15 C16 B4 B8 -100.70(13) . . . . ?
C17 C16 B4 B9 115.92(15) . . . . ?
B5 C16 B4 B9 -38.65(14) . . . . ?
B1 C16 B4 B9 -106.09(14) . . . . ?
C15 C16 B4 B9 -139.17(13) . . . . ?
C17 C16 B4 B3 -142.44(13) . . . . ?
B5 C16 B4 B3 62.99(15) . . . . ?
B9 C16 B4 B3 101.63(14) . . . . ?
B1 C16 B4 B3 -4.46(15) . . . . ?
C15 C16 B4 B3 -37.53(10) . . . . ?
C1 C15 B4 C16 101.66(13) . . . . ?
B2 C15 B4 C16 -96.68(12) . . . . ?
B3 C15 B4 C16 -136.85(12) . . . . ?
B1 C15 B4 C16 -31.30(11) . . . . ?
C1 C15 B4 B8 -158.29(12) . . . . ?
B2 C15 B4 B8 3.36(16) . . . . ?
B3 C15 B4 B8 -36.80(12) . . . . ?
B1 C15 B4 B8 68.74(14) . . . . ?
C16 C15 B4 B8 100.04(12) . . . . ?
C1 C15 B4 B9 138.13(13) . . . . ?
B2 C15 B4 B9 -60.21(16) . . . . ?
B3 C15 B4 B9 -100.38(14) . . . . ?
B1 C15 B4 B9 5.17(16) . . . . ?
C16 C15 B4 B9 36.47(11) . . . . ?
C1 C15 B4 B3 -121.49(14) . . . . ?
B2 C15 B4 B3 40.16(12) . . . . ?
B1 C15 B4 B3 105.54(12) . . . . ?
C16 C15 B4 B3 136.85(12) . . . . ?
B5 B9 B4 C16 35.47(12) . . . . ?
B8 B9 B4 C16 136.41(14) . . . . ?
B10 B9 B4 C16 98.19(13) . . . . ?
C16 B9 B4 C15 -38.57(12) . . . . ?
B5 B9 B4 C15 -3.10(18) . . . . ?
B8 B9 B4 C15 97.84(14) . . . . ?
B10 B9 B4 C15 59.62(16) . . . . ?
C16 B9 B4 B8 -136.41(14) . . . . ?
B5 B9 B4 B8 -100.94(16) . . . . ?
B10 B9 B4 B8 -38.22(12) . . . . ?
C16 B9 B4 B3 -100.24(13) . . . . ?
B5 B9 B4 B3 -64.77(16) . . . . ?
B8 B9 B4 B3 36.17(12) . . . . ?
B10 B9 B4 B3 -2.05(16) . . . . ?
C1 C15 B3 B7 -157.16(14) . . . . ?
B2 C15 B3 B7 -37.62(14) . . . . ?
B4 C15 B3 B7 99.80(15) . . . . ?
B1 C15 B3 B7 2.37(18) . . . . ?
C16 C15 B3 B7 62.79(15) . . . . ?
C1 C15 B3 B2 -119.53(16) . . . . ?
B4 C15 B3 B2 137.42(13) . . . . ?
B1 C15 B3 B2 39.99(12) . . . . ?
C16 C15 B3 B2 100.42(12) . . . . ?
C1 C15 B3 B8 139.78(14) . . . . ?
B2 C15 B3 B8 -100.68(14) . . . . ?
B4 C15 B3 B8 36.74(12) . . . . ?
B1 C15 B3 B8 -60.69(15) . . . . ?
C16 C15 B3 B8 -0.27(15) . . . . ?
C1 C15 B3 B4 103.05(16) . . . . ?
B2 C15 B3 B4 -137.42(13) . . . . ?
B1 C15 B3 B4 -97.43(12) . . . . ?
C16 C15 B3 B4 -37.00(10) . . . . ?
C16 B4 B3 C15 40.14(10) . . . . ?
B8 B4 B3 C15 138.49(13) . . . . ?
B9 B4 B3 C15 102.31(12) . . . . ?
C16 B4 B3 B7 -60.20(14) . . . . ?
C15 B4 B3 B7 -100.34(13) . . . . ?
B8 B4 B3 B7 38.15(12) . . . . ?
B9 B4 B3 B7 1.98(16) . . . . ?
C16 B4 B3 B2 3.09(15) . . . . ?
C15 B4 B3 B2 -37.05(11) . . . . ?
B8 B4 B3 B2 101.44(14) . . . . ?
B9 B4 B3 B2 65.26(15) . . . . ?
C16 B4 B3 B8 -98.35(13) . . . . ?
C15 B4 B3 B8 -138.49(13) . . . . ?
B9 B4 B3 B8 -36.17(12) . . . . ?
C1 C15 B2 B3 118.82(17) . . . . ?
B4 C15 B2 B3 -39.94(12) . . . . ?
B1 C15 B2 B3 -137.03(13) . . . . ?
C16 C15 B2 B3 -100.76(12) . . . . ?
C1 C15 B2 B6 -141.00(14) . . . . ?
B3 C15 B2 B6 100.17(14) . . . . ?
B4 C15 B2 B6 60.23(15) . . . . ?
B1 C15 B2 B6 -36.85(12) . . . . ?
C16 C15 B2 B6 -0.58(15) . . . . ?
C1 C15 B2 B1 -104.15(16) . . . . ?
B3 C15 B2 B1 137.03(13) . . . . ?
B4 C15 B2 B1 97.08(12) . . . . ?
C16 C15 B2 B1 36.27(10) . . . . ?
C1 C15 B2 B7 156.14(14) . . . . ?
B3 C15 B2 B7 37.31(13) . . . . ?
B4 C15 B2 B7 -2.63(17) . . . . ?
B1 C15 B2 B7 -99.72(14) . . . . ?
C16 C15 B2 B7 -63.45(14) . . . . ?
B7 B3 B2 C15 137.79(15) . . . . ?
B8 B3 B2 C15 100.13(14) . . . . ?
B4 B3 B2 C15 37.74(11) . . . . ?
C15 B3 B2 B6 -100.68(14) . . . . ?
B7 B3 B2 B6 37.11(14) . . . . ?
B8 B3 B2 B6 -0.55(17) . . . . ?
B4 B3 B2 B6 -62.95(15) . . . . ?
C15 B3 B2 B1 -38.38(11) . . . . ?
B7 B3 B2 B1 99.41(15) . . . . ?
B8 B3 B2 B1 61.75(16) . . . . ?
B4 B3 B2 B1 -0.64(16) . . . . ?
C15 B3 B2 B7 -137.79(15) . . . . ?
B8 B3 B2 B7 -37.66(14) . . . . ?
B4 B3 B2 B7 -100.05(15) . . . . ?
C16 B1 B2 C15 -39.57(11) . . . . ?
B6 B1 B2 C15 -138.38(13) . . . . ?
B5 B1 B2 C15 -101.90(13) . . . . ?
C16 B1 B2 B3 -2.03(16) . . . . ?
B6 B1 B2 B3 -100.84(14) . . . . ?
C15 B1 B2 B3 37.54(11) . . . . ?
B5 B1 B2 B3 -64.36(15) . . . . ?
C16 B1 B2 B6 98.81(14) . . . . ?
C15 B1 B2 B6 138.38(13) . . . . ?
B5 B1 B2 B6 36.48(12) . . . . ?
C16 B1 B2 B7 60.68(15) . . . . ?
B6 B1 B2 B7 -38.13(12) . . . . ?
C15 B1 B2 B7 100.24(13) . . . . ?
B5 B1 B2 B7 -1.65(16) . . . . ?
C16 B1 B6 B7 -63.40(17) . . . . ?
C15 B1 B6 B7 3.04(18) . . . . ?
B5 B1 B6 B7 -100.98(16) . . . . ?
B2 B1 B6 B7 38.80(14) . . . . ?
C16 B1 B6 B5 37.58(11) . . . . ?
C15 B1 B6 B5 104.02(13) . . . . ?
B2 B1 B6 B5 139.78(13) . . . . ?
C16 B1 B6 B10 -0.46(17) . . . . ?
C15 B1 B6 B10 65.99(16) . . . . ?
B5 B1 B6 B10 -38.03(13) . . . . ?
B2 B1 B6 B10 101.74(15) . . . . ?
C16 B1 B6 B2 -102.20(13) . . . . ?
C15 B1 B6 B2 -35.75(12) . . . . ?
B5 B1 B6 B2 -139.78(13) . . . . ?
C16 B5 B6 B1 -37.57(11) . . . . ?
B10 B5 B6 B1 -137.24(13) . . . . ?
B9 B5 B6 B1 -99.39(13) . . . . ?
C16 B5 B6 B7 63.15(16) . . . . ?
B10 B5 B6 B7 -36.52(13) . . . . ?
B9 B5 B6 B7 1.34(17) . . . . ?
B1 B5 B6 B7 100.72(14) . . . . ?
C16 B5 B6 B10 99.67(14) . . . . ?
B9 B5 B6 B10 37.85(12) . . . . ?
B1 B5 B6 B10 137.24(13) . . . . ?
C16 B5 B6 B2 -0.96(17) . . . . ?
B10 B5 B6 B2 -100.63(15) . . . . ?
B9 B5 B6 B2 -62.78(16) . . . . ?
B1 B5 B6 B2 36.61(12) . . . . ?
C15 B2 B6 B1 37.48(11) . . . . ?
B3 B2 B6 B1 99.53(14) . . . . ?
B7 B2 B6 B1 136.68(14) . . . . ?
C15 B2 B6 B7 -99.20(14) . . . . ?
B3 B2 B6 B7 -37.15(13) . . . . ?
B1 B2 B6 B7 -136.68(14) . . . . ?
C15 B2 B6 B5 0.98(17) . . . . ?
B3 B2 B6 B5 63.03(16) . . . . ?
B1 B2 B6 B5 -36.51(12) . . . . ?
B7 B2 B6 B5 100.17(15) . . . . ?
C15 B2 B6 B10 -62.73(16) . . . . ?
B3 B2 B6 B10 -0.68(18) . . . . ?
B1 B2 B6 B10 -100.22(15) . . . . ?
B7 B2 B6 B10 36.46(13) . . . . ?
C16 B5 B10 B7 -62.51(17) . . . . ?
B9 B5 B10 B7 -101.02(15) . . . . ?
B1 B5 B10 B7 -0.80(17) . . . . ?
B6 B5 B10 B7 36.87(13) . . . . ?
C16 B5 B10 B6 -99.38(14) . . . . ?
B9 B5 B10 B6 -137.89(14) . . . . ?
B1 B5 B10 B6 -37.68(12) . . . . ?
C16 B5 B10 B8 1.09(19) . . . . ?
B9 B5 B10 B8 -37.42(14) . . . . ?
B1 B5 B10 B8 62.80(17) . . . . ?
B6 B5 B10 B8 100.47(16) . . . . ?
C16 B5 B10 B9 38.51(12) . . . . ?
B1 B5 B10 B9 100.22(13) . . . . ?
B6 B5 B10 B9 137.89(14) . . . . ?
B1 B6 B10 B7 -100.80(14) . . . . ?
B5 B6 B10 B7 -139.02(13) . . . . ?
B2 B6 B10 B7 -36.77(13) . . . . ?
B1 B6 B10 B5 38.22(13) . . . . ?
B7 B6 B10 B5 139.02(13) . . . . ?
B2 B6 B10 B5 102.25(14) . . . . ?
B1 B6 B10 B8 -62.38(18) . . . . ?
B7 B6 B10 B8 38.43(14) . . . . ?
B5 B6 B10 B8 -100.60(15) . . . . ?
B2 B6 B10 B8 1.65(19) . . . . ?
B1 B6 B10 B9 0.72(19) . . . . ?
B7 B6 B10 B9 101.52(15) . . . . ?
B5 B6 B10 B9 -37.50(13) . . . . ?
B2 B6 B10 B9 64.75(18) . . . . ?
C16 B9 B10 B7 62.94(16) . . . . ?
B5 B9 B10 B7 101.22(15) . . . . ?
B8 B9 B10 B7 -36.70(13) . . . . ?
B4 B9 B10 B7 1.34(17) . . . . ?
C16 B9 B10 B5 -38.29(12) . . . . ?
B8 B9 B10 B5 -137.92(14) . . . . ?
B4 B9 B10 B5 -99.89(13) . . . . ?
C16 B9 B10 B6 -0.69(18) . . . . ?
B5 B9 B10 B6 37.59(13) . . . . ?
B8 B9 B10 B6 -100.33(16) . . . . ?
B4 B9 B10 B6 -62.29(16) . . . . ?
C16 B9 B10 B8 99.63(14) . . . . ?
B5 B9 B10 B8 137.92(14) . . . . ?
B4 B9 B10 B8 38.03(12) . . . . ?
C16 B4 B8 B7 63.78(16) . . . . ?
C15 B4 B8 B7 -2.68(16) . . . . ?
B9 B4 B8 B7 101.52(15) . . . . ?
B3 B4 B8 B7 -38.44(13) . . . . ?
C16 B4 B8 B9 -37.74(12) . . . . ?
C15 B4 B8 B9 -104.20(13) . . . . ?
B3 B4 B8 B9 -139.96(13) . . . . ?
C16 B4 B8 B10 0.87(18) . . . . ?
C15 B4 B8 B10 -65.59(17) . . . . ?
B9 B4 B8 B10 38.61(14) . . . . ?
B3 B4 B8 B10 -101.35(15) . . . . ?
C16 B4 B8 B3 102.22(13) . . . . ?
C15 B4 B8 B3 35.76(11) . . . . ?
B9 B4 B8 B3 139.96(13) . . . . ?
C16 B9 B8 B4 37.88(11) . . . . ?
B5 B9 B8 B4 99.40(13) . . . . ?
B10 B9 B8 B4 136.81(14) . . . . ?
C16 B9 B8 B7 -62.48(16) . . . . ?
B5 B9 B8 B7 -0.95(17) . . . . ?
B4 B9 B8 B7 -100.36(14) . . . . ?
B10 B9 B8 B7 36.45(13) . . . . ?
C16 B9 B8 B10 -98.93(14) . . . . ?
B5 B9 B8 B10 -37.41(12) . . . . ?
B4 B9 B8 B10 -136.81(14) . . . . ?
C16 B9 B8 B3 1.34(18) . . . . ?
B5 B9 B8 B3 62.86(16) . . . . ?
B4 B9 B8 B3 -36.54(12) . . . . ?
B10 B9 B8 B3 100.27(15) . . . . ?
B7 B10 B8 B4 100.52(15) . . . . ?
B5 B10 B8 B4 -1.2(2) . . . . ?
B6 B10 B8 B4 62.09(19) . . . . ?
B9 B10 B8 B4 -38.66(13) . . . . ?
B5 B10 B8 B7 -101.75(15) . . . . ?
B6 B10 B8 B7 -38.43(14) . . . . ?
B9 B10 B8 B7 -139.18(14) . . . . ?
B7 B10 B8 B9 139.18(14) . . . . ?
B5 B10 B8 B9 37.44(13) . . . . ?
B6 B10 B8 B9 100.75(15) . . . . ?
B7 B10 B8 B3 36.44(13) . . . . ?
B5 B10 B8 B3 -65.31(18) . . . . ?
B6 B10 B8 B3 -1.99(19) . . . . ?
B9 B10 B8 B3 -102.74(14) . . . . ?
C15 B3 B8 B4 -37.10(11) . . . . ?
B7 B3 B8 B4 -136.84(13) . . . . ?
B2 B3 B8 B4 -98.97(13) . . . . ?
C15 B3 B8 B7 99.74(14) . . . . ?
B2 B3 B8 B7 37.87(13) . . . . ?
B4 B3 B8 B7 136.84(13) . . . . ?
C15 B3 B8 B9 -0.65(18) . . . . ?
B7 B3 B8 B9 -100.39(15) . . . . ?
B2 B3 B8 B9 -62.53(17) . . . . ?
B4 B3 B8 B9 36.44(13) . . . . ?
C15 B3 B8 B10 63.45(16) . . . . ?
B7 B3 B8 B10 -36.29(13) . . . . ?
B2 B3 B8 B10 1.58(18) . . . . ?
B4 B3 B8 B10 100.55(14) . . . . ?
B5 B10 B7 B6 -36.83(12) . . . . ?
B8 B10 B7 B6 -136.88(14) . . . . ?
B9 B10 B7 B6 -100.32(14) . . . . ?
B5 B10 B7 B8 100.05(14) . . . . ?
B6 B10 B7 B8 136.88(14) . . . . ?
B9 B10 B7 B8 36.56(12) . . . . ?
B5 B10 B7 B3 63.36(17) . . . . ?
B6 B10 B7 B3 100.20(14) . . . . ?
B8 B10 B7 B3 -36.69(12) . . . . ?
B9 B10 B7 B3 -0.13(18) . . . . ?
B5 B10 B7 B2 -0.21(18) . . . . ?
B6 B10 B7 B2 36.62(13) . . . . ?
B8 B10 B7 B2 -100.26(14) . . . . ?
B9 B10 B7 B2 -63.70(17) . . . . ?
B1 B6 B7 B10 100.35(15) . . . . ?
B5 B6 B7 B10 36.62(13) . . . . ?
B2 B6 B7 B10 139.22(14) . . . . ?
B1 B6 B7 B8 61.81(17) . . . . ?
B5 B6 B7 B8 -1.92(17) . . . . ?
B10 B6 B7 B8 -38.54(13) . . . . ?
B2 B6 B7 B8 100.69(14) . . . . ?
B1 B6 B7 B3 -1.7(2) . . . . ?
B5 B6 B7 B3 -65.41(18) . . . . ?
B10 B6 B7 B3 -102.03(16) . . . . ?
B2 B6 B7 B3 37.19(14) . . . . ?
B1 B6 B7 B2 -38.88(13) . . . . ?
B5 B6 B7 B2 -102.60(14) . . . . ?
B10 B6 B7 B2 -139.22(14) . . . . ?
B4 B8 B7 B10 -100.60(14) . . . . ?
B9 B8 B7 B10 -36.74(12) . . . . ?
B3 B8 B7 B10 -139.33(13) . . . . ?
B4 B8 B7 B6 -62.08(17) . . . . ?
B9 B8 B7 B6 1.78(18) . . . . ?
B10 B8 B7 B6 38.52(13) . . . . ?
B3 B8 B7 B6 -100.82(14) . . . . ?
B4 B8 B7 B3 38.73(12) . . . . ?
B9 B8 B7 B3 102.59(14) . . . . ?
B10 B8 B7 B3 139.33(13) . . . . ?
B4 B8 B7 B2 1.16(18) . . . . ?
B9 B8 B7 B2 65.02(17) . . . . ?
B10 B8 B7 B2 101.76(15) . . . . ?
B3 B8 B7 B2 -37.57(13) . . . . ?
C15 B3 B7 B10 -64.23(16) . . . . ?
B2 B3 B7 B10 -101.06(14) . . . . ?
B8 B3 B7 B10 36.74(13) . . . . ?
B4 B3 B7 B10 -1.13(17) . . . . ?
C15 B3 B7 B6 -0.4(2) . . . . ?
B2 B3 B7 B6 -37.23(14) . . . . ?
B8 B3 B7 B6 100.57(17) . . . . ?
B4 B3 B7 B6 62.70(17) . . . . ?
C15 B3 B7 B8 -100.97(14) . . . . ?
B2 B3 B7 B8 -137.80(14) . . . . ?
B4 B3 B7 B8 -37.87(12) . . . . ?
C15 B3 B7 B2 36.83(13) . . . . ?
B8 B3 B7 B2 137.80(14) . . . . ?
B4 B3 B7 B2 99.93(13) . . . . ?
C15 B2 B7 B10 64.67(16) . . . . ?
B3 B2 B7 B10 101.52(15) . . . . ?
B6 B2 B7 B10 -36.75(14) . . . . ?
B1 B2 B7 B10 1.14(17) . . . . ?
C15 B2 B7 B6 101.42(14) . . . . ?
B3 B2 B7 B6 138.27(15) . . . . ?
B1 B2 B7 B6 37.89(13) . . . . ?
C15 B2 B7 B8 0.87(18) . . . . ?
B3 B2 B7 B8 37.71(13) . . . . ?
B6 B2 B7 B8 -100.56(16) . . . . ?
B1 B2 B7 B8 -62.67(16) . . . . ?
C15 B2 B7 B3 -36.85(12) . . . . ?
B6 B2 B7 B3 -138.27(15) . . . . ?
B1 B2 B7 B3 -100.38(14) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.192
_refine_diff_density_min         -0.184
_refine_diff_density_rms         0.038
####################################################################### 
# 
# 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_ydkr_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1556482'
_audit_update_record             
;
2017-06-16 deposited with the CCDC.
2017-09-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C17 H22 B10'
_chemical_formula_weight         334.45

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'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   P212121

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   7.4049(3)
_cell_length_b                   10.2673(4)
_cell_length_c                   23.6399(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     1797.30(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9993
_cell_measurement_theta_min      2.63
_cell_measurement_theta_max      27.86

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.50
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.236
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             696
_exptl_absorpt_coefficient_mu    0.061
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.9642
_exptl_absorpt_correction_T_max  0.9700
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku R-AXISIP'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17403
_diffrn_reflns_av_R_equivalents  0.0386
_diffrn_reflns_av_sigmaI/netI    0.0320
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.25
_diffrn_reflns_theta_max         27.42
_reflns_number_total             4099
_reflns_number_gt                3894
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0661P)²+0.1496P] 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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   2(3)
_refine_ls_number_reflns         4099
_refine_ls_number_parameters     332
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0399
_refine_ls_R_factor_gt           0.0376
_refine_ls_wR_factor_ref         0.0970
_refine_ls_wR_factor_gt          0.0956
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.07625(12) 0.47692(8) 0.16572(3) 0.01907(18) Uani 1 1 d . . .
C2 C 0.29472(11) 0.50705(8) 0.13973(3) 0.01713(17) Uani 1 1 d . . .
C3 C -0.07812(13) 0.51830(9) 0.12870(4) 0.0250(2) Uani 1 1 d . . .
H1 H -0.164(2) 0.5816(17) 0.1481(6) 0.079(5) Uiso 1 1 d . . .
H2 H -0.154(3) 0.4433(19) 0.1180(7) 0.096(6) Uiso 1 1 d . . .
H3 H -0.047(2) 0.5547(15) 0.0908(6) 0.066(5) Uiso 1 1 d . . .
C4 C 0.30756(12) 0.57010(8) 0.08143(3) 0.01739(18) Uani 1 1 d . . .
C5 C 0.29879(12) 0.70874(8) 0.07524(3) 0.01855(18) Uani 1 1 d . . .
C6 C 0.34466(12) 0.80108(9) 0.11857(4) 0.02045(19) Uani 1 1 d . . .
H4 H 0.3935(14) 0.7703(9) 0.1538(4) 0.014(2) Uiso 1 1 d . . .
C7 C 0.32628(14) 0.93247(9) 0.11064(4) 0.0229(2) Uani 1 1 d . . .
H5 H 0.3573(16) 0.9896(11) 0.1402(4) 0.031(3) Uiso 1 1 d . . .
C8 C 0.26110(13) 0.98379(9) 0.05900(4) 0.0240(2) Uani 1 1 d . . .
H6 H 0.2409(17) 1.0783(12) 0.0556(5) 0.037(3) Uiso 1 1 d . . .
C9 C 0.22730(13) 0.90183(9) 0.01541(4) 0.0222(2) Uani 1 1 d . . .
H7 H 0.1888(16) 0.9338(10) -0.0190(4) 0.024(3) Uiso 1 1 d . . .
C10 C 0.24984(12) 0.76365(8) 0.02134(4) 0.01961(19) Uani 1 1 d . . .
C11 C 0.22680(12) 0.68323(9) -0.02502(4) 0.02095(19) Uani 1 1 d . . .
H8 H 0.2013(15) 0.7183(10) -0.0595(4) 0.020(3) Uiso 1 1 d . . .
C12 C 0.26623(12) 0.55114(9) -0.02246(4) 0.01949(19) Uani 1 1 d . . .
C13 C 0.26420(13) 0.47467(9) -0.07311(4) 0.0226(2) Uani 1 1 d . . .
H9 H 0.2268(16) 0.5161(11) -0.1075(4) 0.028(3) Uiso 1 1 d . . .
C14 C 0.31710(13) 0.34861(9) -0.07316(4) 0.0243(2) Uani 1 1 d . . .
H10 H 0.3235(17) 0.2973(11) -0.1075(4) 0.027(3) Uiso 1 1 d . . .
C15 C 0.37843(13) 0.29205(9) -0.02185(4) 0.0229(2) Uani 1 1 d . . .
H11 H 0.4255(16) 0.2055(11) -0.0212(4) 0.027(3) Uiso 1 1 d . . .
C16 C 0.37483(12) 0.35970(9) 0.02782(4) 0.02003(19) Uani 1 1 d . . .
H12 H 0.4202(14) 0.3151(10) 0.0595(4) 0.016(2) Uiso 1 1 d . . .
B1 B 0.20580(14) 0.34947(9) 0.14344(4) 0.0183(2) Uani 1 1 d . . .
H13 H 0.1620(15) 0.3006(11) 0.1051(4) 0.022(3) Uiso 1 1 d . . .
B2 B 0.07161(14) 0.33717(9) 0.20505(4) 0.0201(2) Uani 1 1 d . . .
H14 H -0.0463(15) 0.2805(10) 0.2018(4) 0.025(3) Uiso 1 1 d . . .
B3 B 0.06890(14) 0.49191(10) 0.23786(4) 0.0207(2) Uani 1 1 d . . .
H15 H -0.0520(17) 0.5319(12) 0.2535(5) 0.031(3) Uiso 1 1 d . . .
B4 B 0.20084(14) 0.59761(9) 0.19573(4) 0.0185(2) Uani 1 1 d . . .
H16 H 0.1547(15) 0.6935(10) 0.1879(4) 0.023(3) Uiso 1 1 d . . .
B5 B 0.43268(14) 0.38565(9) 0.16424(4) 0.0189(2) Uani 1 1 d . . .
H17 H 0.5486(15) 0.3588(10) 0.1382(4) 0.023(3) Uiso 1 1 d . . .
B6 B 0.29728(15) 0.27864(9) 0.20532(4) 0.0199(2) Uani 1 1 d . . .
H18 H 0.3268(18) 0.1724(12) 0.2083(5) 0.038(3) Uiso 1 1 d . . .
B7 B 0.21302(15) 0.36800(10) 0.26446(4) 0.0220(2) Uani 1 1 d . . .
H19 H 0.1870(15) 0.3246(10) 0.3066(4) 0.019(2) Uiso 1 1 d . . .
B8 B 0.29307(15) 0.53213(10) 0.25843(4) 0.0206(2) Uani 1 1 d . . .
H20 H 0.3232(16) 0.5939(10) 0.2933(4) 0.023(3) Uiso 1 1 d . . .
B9 B 0.42924(14) 0.54234(9) 0.19662(4) 0.0185(2) Uani 1 1 d . . .
H21 H 0.5432(15) 0.6054(10) 0.1902(4) 0.022(3) Uiso 1 1 d . . .
B10 B 0.43512(15) 0.39882(10) 0.23908(4) 0.0208(2) Uani 1 1 d . . .
H22 H 0.5593(17) 0.3742(11) 0.2617(5) 0.030(3) Uiso 1 1 d . . .
C17 C 0.31324(12) 0.49195(9) 0.03105(3) 0.01800(18) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C3 1.5009(13) . ?
C1 B4 1.7000(13) . ?
C1 B1 1.7059(13) . ?
C1 B2 1.7101(13) . ?
C1 B3 1.7134(12) . ?
C1 C2 1.7579(12) . ?
C2 C4 1.5256(11) . ?
C2 B9 1.7124(12) . ?
C2 B5 1.7127(13) . ?
C2 B1 1.7489(13) . ?
C2 B4 1.7608(12) . ?
C3 H1 1.019(17) . ?
C3 H2 0.98(2) . ?
C3 H3 0.997(15) . ?
C4 C5 1.4324(11) . ?
C4 C17 1.4367(11) . ?
C5 C6 1.4365(12) . ?
C5 C10 1.4397(12) . ?
C6 C7 1.3688(12) . ?
C6 H4 0.961(9) . ?
C7 C8 1.4146(13) . ?
C7 H5 0.941(11) . ?
C8 C9 1.3537(13) . ?
C8 H6 0.985(12) . ?
C9 C10 1.4354(12) . ?
C9 H7 0.922(10) . ?
C10 C11 1.3827(12) . ?
C11 C12 1.3887(13) . ?
C11 H8 0.910(10) . ?
C12 C13 1.4318(12) . ?
C12 C17 1.4459(12) . ?
C13 C14 1.3523(14) . ?
C13 H9 0.959(10) . ?
C14 C15 1.4195(13) . ?
C14 H10 0.968(10) . ?
C15 C16 1.3644(12) . ?
C15 H11 0.955(11) . ?
C16 C17 1.4344(12) . ?
C16 H12 0.941(10) . ?
B1 B2 1.7676(14) . ?
B1 B6 1.7685(14) . ?
B1 B5 1.7896(14) . ?
B1 H13 1.085(10) . ?
B2 B3 1.7682(14) . ?
B2 B6 1.7758(15) . ?
B2 B7 1.7803(14) . ?
B2 H14 1.052(11) . ?
B3 B4 1.7676(14) . ?
B3 B7 1.7757(15) . ?
B3 B8 1.7784(15) . ?
B3 H15 1.052(12) . ?
B4 B8 1.7651(14) . ?
B4 B9 1.7840(14) . ?
B4 H16 1.059(11) . ?
B5 B10 1.7744(13) . ?
B5 B6 1.7763(14) . ?
B5 B9 1.7817(14) . ?
B5 H17 1.092(11) . ?
B6 B7 1.7849(14) . ?
B6 B10 1.7893(14) . ?
B6 H18 1.115(12) . ?
B7 B10 1.7790(16) . ?
B7 B8 1.7920(15) . ?
B7 H19 1.109(10) . ?
B8 B9 1.7784(14) . ?
B8 B10 1.7857(15) . ?
B8 H20 1.063(10) . ?
B9 B10 1.7835(14) . ?
B9 H21 1.074(11) . ?
B10 H22 1.093(12) . ?

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 C1 B4 116.76(7) . . ?
C3 C1 B1 117.74(7) . . ?
B4 C1 B1 112.51(7) . . ?
C3 C1 B2 122.63(7) . . ?
B4 C1 B2 113.30(7) . . ?
B1 C1 B2 62.33(5) . . ?
C3 C1 B3 122.05(7) . . ?
B4 C1 B3 62.38(5) . . ?
B1 C1 B3 113.21(7) . . ?
B2 C1 B3 62.20(6) . . ?
C3 C1 C2 116.57(7) . . ?
B4 C1 C2 61.20(5) . . ?
B1 C1 C2 60.63(5) . . ?
B2 C1 C2 110.87(6) . . ?
B3 C1 C2 111.18(6) . . ?
C4 C2 B9 125.69(7) . . ?
C4 C2 B5 125.27(7) . . ?
B9 C2 B5 62.69(5) . . ?
C4 C2 B1 117.47(6) . . ?
B9 C2 B1 112.05(6) . . ?
B5 C2 B1 62.25(5) . . ?
C4 C2 C1 116.60(7) . . ?
B9 C2 C1 107.34(6) . . ?
B5 C2 C1 107.61(6) . . ?
B1 C2 C1 58.21(5) . . ?
C4 C2 B4 118.67(7) . . ?
B9 C2 B4 61.80(5) . . ?
B5 C2 B4 111.43(6) . . ?
B1 C2 B4 107.59(6) . . ?
C1 C2 B4 57.78(5) . . ?
C1 C3 H1 113.3(9) . . ?
C1 C3 H2 111.1(11) . . ?
H1 C3 H2 105.0(15) . . ?
C1 C3 H3 117.1(10) . . ?
H1 C3 H3 107.9(13) . . ?
H2 C3 H3 101.1(13) . . ?
C5 C4 C17 118.14(7) . . ?
C5 C4 C2 120.74(7) . . ?
C17 C4 C2 120.91(7) . . ?
C4 C5 C6 124.91(8) . . ?
C4 C5 C10 119.40(8) . . ?
C6 C5 C10 115.61(8) . . ?
C7 C6 C5 121.95(8) . . ?
C7 C6 H4 118.7(6) . . ?
C5 C6 H4 119.4(6) . . ?
C6 C7 C8 121.29(8) . . ?
C6 C7 H5 119.2(7) . . ?
C8 C7 H5 119.5(7) . . ?
C9 C8 C7 119.23(8) . . ?
C9 C8 H6 121.5(7) . . ?
C7 C8 H6 119.3(7) . . ?
C8 C9 C10 121.25(8) . . ?
C8 C9 H7 120.4(7) . . ?
C10 C9 H7 118.3(7) . . ?
C11 C10 C9 119.90(8) . . ?
C11 C10 C5 119.92(8) . . ?
C9 C10 C5 120.18(8) . . ?
C10 C11 C12 121.51(8) . . ?
C10 C11 H8 119.9(7) . . ?
C12 C11 H8 118.0(7) . . ?
C11 C12 C13 119.79(8) . . ?
C11 C12 C17 119.95(8) . . ?
C13 C12 C17 120.24(8) . . ?
C14 C13 C12 121.50(8) . . ?
C14 C13 H9 120.5(7) . . ?
C12 C13 H9 118.0(7) . . ?
C13 C14 C15 118.91(8) . . ?
C13 C14 H10 122.4(7) . . ?
C15 C14 H10 118.5(7) . . ?
C16 C15 C14 121.39(9) . . ?
C16 C15 H11 117.9(6) . . ?
C14 C15 H11 120.7(6) . . ?
C15 C16 C17 122.26(8) . . ?
C15 C16 H12 115.5(6) . . ?
C17 C16 H12 122.2(6) . . ?
C1 B1 C2 61.16(5) . . ?
C1 B1 B2 58.95(5) . . ?
C2 B1 B2 108.61(6) . . ?
C1 B1 B6 105.99(6) . . ?
C2 B1 B6 106.12(7) . . ?
B2 B1 B6 60.29(6) . . ?
C1 B1 B5 106.49(7) . . ?
C2 B1 B5 57.88(5) . . ?
B2 B1 B5 108.43(7) . . ?
B6 B1 B5 59.89(6) . . ?
C1 B1 H13 116.4(6) . . ?
C2 B1 H13 119.9(6) . . ?
B2 B1 H13 119.1(6) . . ?
B6 B1 H13 127.9(6) . . ?
B5 B1 H13 127.3(6) . . ?
C1 B2 B3 58.99(5) . . ?
C1 B2 B1 58.72(5) . . ?
B3 B2 B1 107.68(7) . . ?
C1 B2 B6 105.48(7) . . ?
B3 B2 B6 108.25(7) . . ?
B1 B2 B6 59.88(6) . . ?
C1 B2 B7 105.54(7) . . ?
B3 B2 B7 60.05(6) . . ?
B1 B2 B7 107.86(7) . . ?
B6 B2 B7 60.25(6) . . ?
C1 B2 H14 116.2(6) . . ?
B3 B2 H14 121.3(6) . . ?
B1 B2 H14 116.5(6) . . ?
B6 B2 H14 126.4(6) . . ?
B7 B2 H14 130.1(6) . . ?
C1 B3 B2 58.81(5) . . ?
C1 B3 B4 58.44(5) . . ?
B2 B3 B4 107.34(7) . . ?
C1 B3 B7 105.60(7) . . ?
B2 B3 B7 60.31(6) . . ?
B4 B3 B7 107.89(7) . . ?
C1 B3 B8 105.27(7) . . ?
B2 B3 B8 108.54(7) . . ?
B4 B3 B8 59.70(6) . . ?
B7 B3 B8 60.56(6) . . ?
C1 B3 H15 114.3(6) . . ?
B2 B3 H15 121.0(7) . . ?
B4 B3 H15 115.4(7) . . ?
B7 B3 H15 131.8(6) . . ?
B8 B3 H15 127.4(6) . . ?
C1 B4 C2 61.02(5) . . ?
C1 B4 B8 106.43(7) . . ?
C2 B4 B8 106.11(7) . . ?
C1 B4 B3 59.18(5) . . ?
C2 B4 B3 108.52(7) . . ?
B8 B4 B3 60.45(6) . . ?
C1 B4 B9 106.71(7) . . ?
C2 B4 B9 57.77(5) . . ?
B8 B4 B9 60.14(6) . . ?
B3 B4 B9 108.79(7) . . ?
C1 B4 H16 115.4(6) . . ?
C2 B4 H16 119.1(5) . . ?
B8 B4 H16 128.8(5) . . ?
B3 B4 H16 119.4(6) . . ?
B9 B4 H16 127.2(6) . . ?
C2 B5 B10 106.74(7) . . ?
C2 B5 B6 107.36(7) . . ?
B10 B5 B6 60.52(6) . . ?
C2 B5 B9 58.65(5) . . ?
B10 B5 B9 60.20(5) . . ?
B6 B5 B9 108.40(7) . . ?
C2 B5 B1 59.87(5) . . ?
B10 B5 B1 107.43(7) . . ?
B6 B5 B1 59.47(6) . . ?
B9 B5 B1 106.98(7) . . ?
C2 B5 H17 117.5(5) . . ?
B10 B5 H17 125.0(5) . . ?
B6 B5 H17 126.6(6) . . ?
B9 B5 H17 118.8(6) . . ?
B1 B5 H17 122.0(5) . . ?
B1 B6 B2 59.83(6) . . ?
B1 B6 B5 60.64(6) . . ?
B2 B6 B5 108.66(7) . . ?
B1 B6 B7 107.62(7) . . ?
B2 B6 B7 60.00(6) . . ?
B5 B6 B7 107.91(7) . . ?
B1 B6 B10 107.70(7) . . ?
B2 B6 B10 107.76(7) . . ?
B5 B6 B10 59.69(5) . . ?
B7 B6 B10 59.70(6) . . ?
B1 B6 H18 121.9(6) . . ?
B2 B6 H18 121.1(7) . . ?
B5 B6 H18 121.9(6) . . ?
B7 B6 H18 121.5(6) . . ?
B10 B6 H18 122.4(7) . . ?
B3 B7 B10 107.98(7) . . ?
B3 B7 B2 59.64(6) . . ?
B10 B7 B2 108.02(7) . . ?
B3 B7 B6 107.52(7) . . ?
B10 B7 B6 60.27(6) . . ?
B2 B7 B6 59.75(6) . . ?
B3 B7 B8 59.79(6) . . ?
B10 B7 B8 60.01(6) . . ?
B2 B7 B8 107.40(7) . . ?
B6 B7 B8 107.78(7) . . ?
B3 B7 H19 120.1(6) . . ?
B10 B7 H19 122.4(6) . . ?
B2 B7 H19 122.4(5) . . ?
B6 B7 H19 123.9(5) . . ?
B8 B7 H19 120.5(5) . . ?
B4 B8 B9 60.46(5) . . ?
B4 B8 B3 59.85(6) . . ?
B9 B8 B3 108.56(7) . . ?
B4 B8 B10 107.74(7) . . ?
B9 B8 B10 60.05(6) . . ?
B3 B8 B10 107.57(7) . . ?
B4 B8 B7 107.28(7) . . ?
B9 B8 B7 107.96(7) . . ?
B3 B8 B7 59.64(6) . . ?
B10 B8 B7 59.63(6) . . ?
B4 B8 H20 120.3(6) . . ?
B9 B8 H20 118.8(6) . . ?
B3 B8 H20 123.1(6) . . ?
B10 B8 H20 122.1(6) . . ?
B7 B8 H20 124.6(6) . . ?
C2 B9 B8 107.64(7) . . ?
C2 B9 B5 58.66(5) . . ?
B8 B9 B5 107.93(7) . . ?
C2 B9 B10 106.35(7) . . ?
B8 B9 B10 60.18(6) . . ?
B5 B9 B10 59.70(5) . . ?
C2 B9 B4 60.44(5) . . ?
B8 B9 B4 59.40(6) . . ?
B5 B9 B4 107.20(7) . . ?
B10 B9 B4 107.01(7) . . ?
C2 B9 H21 118.3(5) . . ?
B8 B9 H21 126.6(5) . . ?
B5 B9 H21 118.2(5) . . ?
B10 B9 H21 123.9(6) . . ?
B4 B9 H21 123.4(6) . . ?
B5 B10 B7 108.26(7) . . ?
B5 B10 B9 60.10(5) . . ?
B7 B10 B9 108.31(7) . . ?
B5 B10 B8 107.93(7) . . ?
B7 B10 B8 60.36(6) . . ?
B9 B10 B8 59.77(5) . . ?
B5 B10 B6 59.79(5) . . ?
B7 B10 B6 60.03(6) . . ?
B9 B10 B6 107.74(7) . . ?
B8 B10 B6 107.87(8) . . ?
B5 B10 H22 118.6(6) . . ?
B7 B10 H22 124.9(6) . . ?
B9 B10 H22 119.1(6) . . ?
B8 B10 H22 123.2(6) . . ?
B6 B10 H22 122.6(6) . . ?
C16 C17 C4 125.60(8) . . ?
C16 C17 C12 115.33(7) . . ?
C4 C17 C12 118.91(8) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C3 C1 C2 C4 -1.15(10) . . . . ?
B4 C1 C2 C4 -108.58(8) . . . . ?
B1 C1 C2 C4 107.26(7) . . . . ?
B2 C1 C2 C4 145.55(7) . . . . ?
B3 C1 C2 C4 -147.26(7) . . . . ?
C3 C1 C2 B9 145.98(7) . . . . ?
B4 C1 C2 B9 38.56(6) . . . . ?
B1 C1 C2 B9 -105.61(7) . . . . ?
B2 C1 C2 B9 -67.32(8) . . . . ?
B3 C1 C2 B9 -0.13(8) . . . . ?
C3 C1 C2 B5 -147.92(7) . . . . ?
B4 C1 C2 B5 104.65(7) . . . . ?
B1 C1 C2 B5 -39.51(6) . . . . ?
B2 C1 C2 B5 -1.22(8) . . . . ?
B3 C1 C2 B5 65.97(8) . . . . ?
C3 C1 C2 B1 -108.41(8) . . . . ?
B4 C1 C2 B1 144.17(7) . . . . ?
B2 C1 C2 B1 38.29(6) . . . . ?
B3 C1 C2 B1 105.48(7) . . . . ?
C3 C1 C2 B4 107.43(8) . . . . ?
B1 C1 C2 B4 -144.17(7) . . . . ?
B2 C1 C2 B4 -105.88(7) . . . . ?
B3 C1 C2 B4 -38.68(6) . . . . ?
B9 C2 C4 C5 -54.85(12) . . . . ?
B5 C2 C4 C5 -134.25(9) . . . . ?
B1 C2 C4 C5 151.71(8) . . . . ?
C1 C2 C4 C5 85.52(10) . . . . ?
B4 C2 C4 C5 19.46(12) . . . . ?
B9 C2 C4 C17 130.50(9) . . . . ?
B5 C2 C4 C17 51.10(12) . . . . ?
B1 C2 C4 C17 -22.93(11) . . . . ?
C1 C2 C4 C17 -89.13(9) . . . . ?
B4 C2 C4 C17 -155.19(8) . . . . ?
C17 C4 C5 C6 -160.80(8) . . . . ?
C2 C4 C5 C6 24.40(13) . . . . ?
C17 C4 C5 C10 15.80(13) . . . . ?
C2 C4 C5 C10 -159.00(8) . . . . ?
C4 C5 C6 C7 -177.30(9) . . . . ?
C10 C5 C6 C7 5.98(13) . . . . ?
C5 C6 C7 C8 -0.12(15) . . . . ?
C6 C7 C8 C9 -4.28(15) . . . . ?
C7 C8 C9 C10 2.38(14) . . . . ?
C8 C9 C10 C11 -175.38(9) . . . . ?
C8 C9 C10 C5 3.78(14) . . . . ?
C4 C5 C10 C11 -5.47(13) . . . . ?
C6 C5 C10 C11 171.44(8) . . . . ?
C4 C5 C10 C9 175.38(8) . . . . ?
C6 C5 C10 C9 -7.71(12) . . . . ?
C9 C10 C11 C12 172.98(8) . . . . ?
C5 C10 C11 C12 -6.18(13) . . . . ?
C10 C11 C12 C13 -171.53(8) . . . . ?
C10 C11 C12 C17 7.03(13) . . . . ?
C11 C12 C13 C14 174.12(9) . . . . ?
C17 C12 C13 C14 -4.44(14) . . . . ?
C12 C13 C14 C15 -0.96(14) . . . . ?
C13 C14 C15 C16 3.94(14) . . . . ?
C14 C15 C16 C17 -1.42(14) . . . . ?
C3 C1 B1 C2 106.50(8) . . . . ?
B4 C1 B1 C2 -33.73(6) . . . . ?
B2 C1 B1 C2 -139.17(7) . . . . ?
B3 C1 B1 C2 -102.11(7) . . . . ?
C3 C1 B1 B2 -114.34(8) . . . . ?
B4 C1 B1 B2 105.44(7) . . . . ?
B3 C1 B1 B2 37.06(7) . . . . ?
C2 C1 B1 B2 139.17(7) . . . . ?
C3 C1 B1 B6 -153.60(8) . . . . ?
B4 C1 B1 B6 66.17(8) . . . . ?
B2 C1 B1 B6 -39.27(6) . . . . ?
B3 C1 B1 B6 -2.21(9) . . . . ?
C2 C1 B1 B6 99.90(7) . . . . ?
C3 C1 B1 B5 143.74(7) . . . . ?
B4 C1 B1 B5 3.52(9) . . . . ?
B2 C1 B1 B5 -101.92(7) . . . . ?
B3 C1 B1 B5 -64.86(8) . . . . ?
C2 C1 B1 B5 37.25(6) . . . . ?
C4 C2 B1 C1 -105.76(8) . . . . ?
B9 C2 B1 C1 97.31(7) . . . . ?
B5 C2 B1 C1 136.74(6) . . . . ?
B4 C2 B1 C1 31.30(6) . . . . ?
C4 C2 B1 B2 -141.99(7) . . . . ?
B9 C2 B1 B2 61.08(9) . . . . ?
B5 C2 B1 B2 100.51(7) . . . . ?
C1 C2 B1 B2 -36.23(6) . . . . ?
B4 C2 B1 B2 -4.93(9) . . . . ?
C4 C2 B1 B6 154.57(7) . . . . ?
B9 C2 B1 B6 -2.36(9) . . . . ?
B5 C2 B1 B6 37.07(6) . . . . ?
C1 C2 B1 B6 -99.68(7) . . . . ?
B4 C2 B1 B6 -68.37(8) . . . . ?
C4 C2 B1 B5 117.50(8) . . . . ?
B9 C2 B1 B5 -39.43(6) . . . . ?
C1 C2 B1 B5 -136.74(6) . . . . ?
B4 C2 B1 B5 -105.44(7) . . . . ?
C3 C1 B2 B3 -112.01(9) . . . . ?
B4 C1 B2 B3 37.07(7) . . . . ?
B1 C1 B2 B3 141.24(7) . . . . ?
C2 C1 B2 B3 103.66(7) . . . . ?
C3 C1 B2 B1 106.76(9) . . . . ?
B4 C1 B2 B1 -104.17(8) . . . . ?
B3 C1 B2 B1 -141.24(7) . . . . ?
C2 C1 B2 B1 -37.57(6) . . . . ?
C3 C1 B2 B6 145.72(8) . . . . ?
B4 C1 B2 B6 -65.21(8) . . . . ?
B1 C1 B2 B6 38.96(6) . . . . ?
B3 C1 B2 B6 -102.28(7) . . . . ?
C2 C1 B2 B6 1.39(8) . . . . ?
C3 C1 B2 B7 -151.50(8) . . . . ?
B4 C1 B2 B7 -2.42(9) . . . . ?
B1 C1 B2 B7 101.74(7) . . . . ?
B3 C1 B2 B7 -39.49(7) . . . . ?
C2 C1 B2 B7 64.17(8) . . . . ?
C2 B1 B2 C1 37.18(6) . . . . ?
B6 B1 B2 C1 135.53(7) . . . . ?
B5 B1 B2 C1 98.55(7) . . . . ?
C1 B1 B2 B3 -34.28(6) . . . . ?
C2 B1 B2 B3 2.90(9) . . . . ?
B6 B1 B2 B3 101.25(7) . . . . ?
B5 B1 B2 B3 64.27(8) . . . . ?
C1 B1 B2 B6 -135.53(7) . . . . ?
C2 B1 B2 B6 -98.35(7) . . . . ?
B5 B1 B2 B6 -36.98(6) . . . . ?
C1 B1 B2 B7 -97.68(7) . . . . ?
C2 B1 B2 B7 -60.50(8) . . . . ?
B6 B1 B2 B7 37.85(7) . . . . ?
B5 B1 B2 B7 0.87(9) . . . . ?
C3 C1 B3 B2 112.89(9) . . . . ?
B4 C1 B3 B2 -141.33(7) . . . . ?
B1 C1 B3 B2 -37.11(7) . . . . ?
C2 C1 B3 B2 -103.15(7) . . . . ?
C3 C1 B3 B4 -105.78(9) . . . . ?
B1 C1 B3 B4 104.22(8) . . . . ?
B2 C1 B3 B4 141.33(7) . . . . ?
C2 C1 B3 B4 38.18(6) . . . . ?
C3 C1 B3 B7 152.52(8) . . . . ?
B4 C1 B3 B7 -101.70(8) . . . . ?
B1 C1 B3 B7 2.52(9) . . . . ?
B2 C1 B3 B7 39.63(7) . . . . ?
C2 C1 B3 B7 -63.52(8) . . . . ?
C3 C1 B3 B8 -144.40(8) . . . . ?
B4 C1 B3 B8 -38.62(6) . . . . ?
B1 C1 B3 B8 65.60(9) . . . . ?
B2 C1 B3 B8 102.71(7) . . . . ?
C2 C1 B3 B8 -0.44(9) . . . . ?
B1 B2 B3 C1 34.17(6) . . . . ?
B6 B2 B3 C1 97.46(7) . . . . ?
B7 B2 B3 C1 135.00(7) . . . . ?
C1 B2 B3 B4 -33.90(6) . . . . ?
B1 B2 B3 B4 0.26(9) . . . . ?
B6 B2 B3 B4 63.55(8) . . . . ?
B7 B2 B3 B4 101.09(8) . . . . ?
C1 B2 B3 B7 -135.00(7) . . . . ?
B1 B2 B3 B7 -100.83(8) . . . . ?
B6 B2 B3 B7 -37.54(7) . . . . ?
C1 B2 B3 B8 -96.99(7) . . . . ?
B1 B2 B3 B8 -62.82(8) . . . . ?
B6 B2 B3 B8 0.47(9) . . . . ?
B7 B2 B3 B8 38.01(7) . . . . ?
C3 C1 B4 C2 -107.12(8) . . . . ?
B1 C1 B4 C2 33.52(6) . . . . ?
B2 C1 B4 C2 101.87(7) . . . . ?
B3 C1 B4 C2 138.87(7) . . . . ?
C3 C1 B4 B8 153.24(7) . . . . ?
B1 C1 B4 B8 -66.12(8) . . . . ?
B2 C1 B4 B8 2.23(9) . . . . ?
B3 C1 B4 B8 39.23(7) . . . . ?
C2 C1 B4 B8 -99.64(7) . . . . ?
C3 C1 B4 B3 114.01(8) . . . . ?
B1 C1 B4 B3 -105.35(7) . . . . ?
B2 C1 B4 B3 -37.00(7) . . . . ?
C2 C1 B4 B3 -138.87(7) . . . . ?
C3 C1 B4 B9 -143.73(7) . . . . ?
B1 C1 B4 B9 -3.08(9) . . . . ?
B2 C1 B4 B9 65.27(8) . . . . ?
B3 C1 B4 B9 102.27(7) . . . . ?
C2 C1 B4 B9 -36.60(6) . . . . ?
C4 C2 B4 C1 104.99(8) . . . . ?
B9 C2 B4 C1 -137.54(6) . . . . ?
B5 C2 B4 C1 -97.87(7) . . . . ?
B1 C2 B4 C1 -31.47(6) . . . . ?
C4 C2 B4 B8 -154.84(7) . . . . ?
B9 C2 B4 B8 -37.37(7) . . . . ?
B5 C2 B4 B8 2.30(9) . . . . ?
B1 C2 B4 B8 68.70(8) . . . . ?
C1 C2 B4 B8 100.17(7) . . . . ?
C4 C2 B4 B3 141.56(7) . . . . ?
B9 C2 B4 B3 -100.97(7) . . . . ?
B5 C2 B4 B3 -61.30(9) . . . . ?
B1 C2 B4 B3 5.10(9) . . . . ?
C1 C2 B4 B3 36.57(6) . . . . ?
C4 C2 B4 B9 -117.47(8) . . . . ?
B5 C2 B4 B9 39.67(7) . . . . ?
B1 C2 B4 B9 106.07(7) . . . . ?
C1 C2 B4 B9 137.54(6) . . . . ?
B2 B3 B4 C1 34.06(6) . . . . ?
B7 B3 B4 C1 97.67(7) . . . . ?
B8 B3 B4 C1 135.79(7) . . . . ?
C1 B3 B4 C2 -37.36(6) . . . . ?
B2 B3 B4 C2 -3.31(9) . . . . ?
B7 B3 B4 C2 60.31(8) . . . . ?
B8 B3 B4 C2 98.42(7) . . . . ?
C1 B3 B4 B8 -135.79(7) . . . . ?
B2 B3 B4 B8 -101.73(8) . . . . ?
B7 B3 B4 B8 -38.12(7) . . . . ?
C1 B3 B4 B9 -98.67(7) . . . . ?
B2 B3 B4 B9 -64.61(8) . . . . ?
B7 B3 B4 B9 -1.00(9) . . . . ?
B8 B3 B4 B9 37.12(6) . . . . ?
C4 C2 B5 B10 153.77(8) . . . . ?
B9 C2 B5 B10 37.73(7) . . . . ?
B1 C2 B5 B10 -100.78(7) . . . . ?
C1 C2 B5 B10 -63.11(8) . . . . ?
B4 C2 B5 B10 -1.55(9) . . . . ?
C4 C2 B5 B6 -142.61(8) . . . . ?
B9 C2 B5 B6 101.34(7) . . . . ?
B1 C2 B5 B6 -37.16(6) . . . . ?
C1 C2 B5 B6 0.51(8) . . . . ?
B4 C2 B5 B6 62.06(8) . . . . ?
C4 C2 B5 B9 116.04(9) . . . . ?
B1 C2 B5 B9 -138.51(7) . . . . ?
C1 C2 B5 B9 -100.84(6) . . . . ?
B4 C2 B5 B9 -39.28(7) . . . . ?
C4 C2 B5 B1 -105.45(8) . . . . ?
B9 C2 B5 B1 138.51(7) . . . . ?
C1 C2 B5 B1 37.67(6) . . . . ?
B4 C2 B5 B1 99.22(7) . . . . ?
C1 B1 B5 C2 -38.75(6) . . . . ?
B2 B1 B5 C2 -100.83(7) . . . . ?
B6 B1 B5 C2 -137.98(7) . . . . ?
C1 B1 B5 B10 60.85(8) . . . . ?
C2 B1 B5 B10 99.61(7) . . . . ?
B2 B1 B5 B10 -1.22(9) . . . . ?
B6 B1 B5 B10 -38.38(6) . . . . ?
C1 B1 B5 B6 99.23(7) . . . . ?
C2 B1 B5 B6 137.98(7) . . . . ?
B2 B1 B5 B6 37.15(6) . . . . ?
C1 B1 B5 B9 -2.48(8) . . . . ?
C2 B1 B5 B9 36.27(6) . . . . ?
B2 B1 B5 B9 -64.56(8) . . . . ?
B6 B1 B5 B9 -101.71(7) . . . . ?
C1 B1 B6 B2 38.64(6) . . . . ?
C2 B1 B6 B2 102.56(7) . . . . ?
B5 B1 B6 B2 138.72(7) . . . . ?
C1 B1 B6 B5 -100.09(7) . . . . ?
C2 B1 B6 B5 -36.17(6) . . . . ?
B2 B1 B6 B5 -138.72(7) . . . . ?
C1 B1 B6 B7 0.96(9) . . . . ?
C2 B1 B6 B7 64.88(8) . . . . ?
B2 B1 B6 B7 -37.68(7) . . . . ?
B5 B1 B6 B7 101.05(7) . . . . ?
C1 B1 B6 B10 -62.02(9) . . . . ?
C2 B1 B6 B10 1.90(9) . . . . ?
B2 B1 B6 B10 -100.66(7) . . . . ?
B5 B1 B6 B10 38.07(7) . . . . ?
C1 B2 B6 B1 -38.41(6) . . . . ?
B3 B2 B6 B1 -100.28(7) . . . . ?
B7 B2 B6 B1 -137.73(7) . . . . ?
C1 B2 B6 B5 -1.05(9) . . . . ?
B3 B2 B6 B5 -62.92(8) . . . . ?
B1 B2 B6 B5 37.36(6) . . . . ?
B7 B2 B6 B5 -100.37(7) . . . . ?
C1 B2 B6 B7 99.32(7) . . . . ?
B3 B2 B6 B7 37.45(6) . . . . ?
B1 B2 B6 B7 137.73(7) . . . . ?
C1 B2 B6 B10 62.13(8) . . . . ?
B3 B2 B6 B10 0.26(9) . . . . ?
B1 B2 B6 B10 100.54(7) . . . . ?
B7 B2 B6 B10 -37.19(6) . . . . ?
C2 B5 B6 B1 37.34(6) . . . . ?
B10 B5 B6 B1 137.12(7) . . . . ?
B9 B5 B6 B1 99.28(7) . . . . ?
C2 B5 B6 B2 0.33(9) . . . . ?
B10 B5 B6 B2 100.11(7) . . . . ?
B9 B5 B6 B2 62.27(8) . . . . ?
B1 B5 B6 B2 -37.01(6) . . . . ?
C2 B5 B6 B7 -63.21(8) . . . . ?
B10 B5 B6 B7 36.57(7) . . . . ?
B9 B5 B6 B7 -1.28(9) . . . . ?
B1 B5 B6 B7 -100.56(8) . . . . ?
C2 B5 B6 B10 -99.78(7) . . . . ?
B9 B5 B6 B10 -37.85(7) . . . . ?
B1 B5 B6 B10 -137.12(7) . . . . ?
C1 B3 B7 B10 61.85(8) . . . . ?
B2 B3 B7 B10 100.76(7) . . . . ?
B4 B3 B7 B10 0.59(9) . . . . ?
B8 B3 B7 B10 -37.14(6) . . . . ?
C1 B3 B7 B2 -38.91(6) . . . . ?
B4 B3 B7 B2 -100.17(7) . . . . ?
B8 B3 B7 B2 -137.90(7) . . . . ?
C1 B3 B7 B6 -1.77(9) . . . . ?
B2 B3 B7 B6 37.14(7) . . . . ?
B4 B3 B7 B6 -63.03(9) . . . . ?
B8 B3 B7 B6 -100.77(8) . . . . ?
C1 B3 B7 B8 98.99(7) . . . . ?
B2 B3 B7 B8 137.90(7) . . . . ?
B4 B3 B7 B8 37.73(6) . . . . ?
C1 B2 B7 B3 38.98(6) . . . . ?
B1 B2 B7 B3 100.52(7) . . . . ?
B6 B2 B7 B3 138.20(7) . . . . ?
C1 B2 B7 B10 -61.72(8) . . . . ?
B3 B2 B7 B10 -100.70(8) . . . . ?
B1 B2 B7 B10 -0.18(9) . . . . ?
B6 B2 B7 B10 37.50(6) . . . . ?
C1 B2 B7 B6 -99.22(7) . . . . ?
B3 B2 B7 B6 -138.20(7) . . . . ?
B1 B2 B7 B6 -37.68(6) . . . . ?
C1 B2 B7 B8 1.60(9) . . . . ?
B3 B2 B7 B8 -37.38(7) . . . . ?
B1 B2 B7 B8 63.14(9) . . . . ?
B6 B2 B7 B8 100.82(8) . . . . ?
B1 B6 B7 B3 0.52(10) . . . . ?
B2 B6 B7 B3 -37.09(7) . . . . ?
B5 B6 B7 B3 64.54(9) . . . . ?
B10 B6 B7 B3 101.11(8) . . . . ?
B1 B6 B7 B10 -100.59(7) . . . . ?
B2 B6 B7 B10 -138.19(7) . . . . ?
B5 B6 B7 B10 -36.56(7) . . . . ?
B1 B6 B7 B2 37.60(7) . . . . ?
B5 B6 B7 B2 101.63(7) . . . . ?
B10 B6 B7 B2 138.19(7) . . . . ?
B1 B6 B7 B8 -62.56(9) . . . . ?
B2 B6 B7 B8 -100.16(8) . . . . ?
B5 B6 B7 B8 1.47(10) . . . . ?
B10 B6 B7 B8 38.03(7) . . . . ?
C1 B4 B8 B9 100.16(7) . . . . ?
C2 B4 B8 B9 36.30(6) . . . . ?
B3 B4 B8 B9 138.79(7) . . . . ?
C1 B4 B8 B3 -38.64(6) . . . . ?
C2 B4 B8 B3 -102.50(7) . . . . ?
B9 B4 B8 B3 -138.79(7) . . . . ?
C1 B4 B8 B10 61.77(9) . . . . ?
C2 B4 B8 B10 -2.09(9) . . . . ?
B3 B4 B8 B10 100.41(8) . . . . ?
B9 B4 B8 B10 -38.39(7) . . . . ?
C1 B4 B8 B7 -1.08(9) . . . . ?
C2 B4 B8 B7 -64.94(9) . . . . ?
B3 B4 B8 B7 37.56(7) . . . . ?
B9 B4 B8 B7 -101.24(7) . . . . ?
C1 B3 B8 B4 38.02(6) . . . . ?
B2 B3 B8 B4 99.69(7) . . . . ?
B7 B3 B8 B4 137.58(7) . . . . ?
C1 B3 B8 B9 0.82(9) . . . . ?
B2 B3 B8 B9 62.49(8) . . . . ?
B4 B3 B8 B9 -37.20(6) . . . . ?
B7 B3 B8 B9 100.39(7) . . . . ?
C1 B3 B8 B10 -62.68(8) . . . . ?
B2 B3 B8 B10 -1.02(9) . . . . ?
B4 B3 B8 B10 -100.71(7) . . . . ?
B7 B3 B8 B10 36.88(6) . . . . ?
C1 B3 B8 B7 -99.56(7) . . . . ?
B2 B3 B8 B7 -37.90(6) . . . . ?
B4 B3 B8 B7 -137.58(7) . . . . ?
B3 B7 B8 B4 -37.65(7) . . . . ?
B10 B7 B8 B4 100.82(7) . . . . ?
B2 B7 B8 B4 -0.33(10) . . . . ?
B6 B7 B8 B4 62.67(9) . . . . ?
B3 B7 B8 B9 -101.42(7) . . . . ?
B10 B7 B8 B9 37.05(7) . . . . ?
B2 B7 B8 B9 -64.10(9) . . . . ?
B6 B7 B8 B9 -1.10(10) . . . . ?
B10 B7 B8 B3 138.46(7) . . . . ?
B2 B7 B8 B3 37.31(7) . . . . ?
B6 B7 B8 B3 100.31(7) . . . . ?
B3 B7 B8 B10 -138.46(7) . . . . ?
B2 B7 B8 B10 -101.15(7) . . . . ?
B6 B7 B8 B10 -38.15(7) . . . . ?
C4 C2 B9 B8 143.95(8) . . . . ?
B5 C2 B9 B8 -100.63(7) . . . . ?
B1 C2 B9 B8 -61.39(8) . . . . ?
C1 C2 B9 B8 0.64(8) . . . . ?
B4 C2 B9 B8 37.39(6) . . . . ?
C4 C2 B9 B5 -115.41(9) . . . . ?
B1 C2 B9 B5 39.24(7) . . . . ?
C1 C2 B9 B5 101.28(7) . . . . ?
B4 C2 B9 B5 138.03(7) . . . . ?
C4 C2 B9 B10 -152.83(8) . . . . ?
B5 C2 B9 B10 -37.41(6) . . . . ?
B1 C2 B9 B10 1.83(9) . . . . ?
C1 C2 B9 B10 63.86(8) . . . . ?
B4 C2 B9 B10 100.61(7) . . . . ?
C4 C2 B9 B4 106.56(9) . . . . ?
B5 C2 B9 B4 -138.03(7) . . . . ?
B1 C2 B9 B4 -98.79(7) . . . . ?
C1 C2 B9 B4 -36.75(6) . . . . ?
B4 B8 B9 C2 -37.86(6) . . . . ?
B3 B8 B9 C2 -0.92(9) . . . . ?
B10 B8 B9 C2 99.10(7) . . . . ?
B7 B8 B9 C2 62.23(9) . . . . ?
B4 B8 B9 B5 -99.77(7) . . . . ?
B3 B8 B9 B5 -62.84(9) . . . . ?
B10 B8 B9 B5 37.18(7) . . . . ?
B7 B8 B9 B5 0.31(9) . . . . ?
B4 B8 B9 B10 -136.95(7) . . . . ?
B3 B8 B9 B10 -100.02(8) . . . . ?
B7 B8 B9 B10 -36.87(7) . . . . ?
B3 B8 B9 B4 36.93(6) . . . . ?
B10 B8 B9 B4 136.95(7) . . . . ?
B7 B8 B9 B4 100.09(8) . . . . ?
B10 B5 B9 C2 -137.52(7) . . . . ?
B6 B5 B9 C2 -99.53(7) . . . . ?
B1 B5 B9 C2 -36.81(6) . . . . ?
C2 B5 B9 B8 100.13(7) . . . . ?
B10 B5 B9 B8 -37.39(7) . . . . ?
B6 B5 B9 B8 0.60(9) . . . . ?
B1 B5 B9 B8 63.32(8) . . . . ?
C2 B5 B9 B10 137.52(7) . . . . ?
B6 B5 B9 B10 37.99(7) . . . . ?
B1 B5 B9 B10 100.72(7) . . . . ?
C2 B5 B9 B4 37.51(6) . . . . ?
B10 B5 B9 B4 -100.01(7) . . . . ?
B6 B5 B9 B4 -62.02(8) . . . . ?
B1 B5 B9 B4 0.70(8) . . . . ?
C1 B4 B9 C2 38.07(6) . . . . ?
B8 B4 B9 C2 137.75(7) . . . . ?
B3 B4 B9 C2 100.50(7) . . . . ?
C1 B4 B9 B8 -99.68(7) . . . . ?
C2 B4 B9 B8 -137.75(7) . . . . ?
B3 B4 B9 B8 -37.25(6) . . . . ?
C1 B4 B9 B5 1.35(8) . . . . ?
C2 B4 B9 B5 -36.72(6) . . . . ?
B8 B4 B9 B5 101.03(7) . . . . ?
B3 B4 B9 B5 63.78(8) . . . . ?
C1 B4 B9 B10 -61.41(8) . . . . ?
C2 B4 B9 B10 -99.49(7) . . . . ?
B8 B4 B9 B10 38.26(6) . . . . ?
B3 B4 B9 B10 1.01(9) . . . . ?
C2 B5 B10 B7 64.04(9) . . . . ?
B6 B5 B10 B7 -36.79(7) . . . . ?
B9 B5 B10 B7 101.07(8) . . . . ?
B1 B5 B10 B7 1.11(9) . . . . ?
C2 B5 B10 B9 -37.03(6) . . . . ?
B6 B5 B10 B9 -137.86(7) . . . . ?
B1 B5 B10 B9 -99.96(7) . . . . ?
C2 B5 B10 B8 0.19(9) . . . . ?
B6 B5 B10 B8 -100.65(8) . . . . ?
B9 B5 B10 B8 37.21(7) . . . . ?
B1 B5 B10 B8 -62.75(9) . . . . ?
C2 B5 B10 B6 100.83(7) . . . . ?
B9 B5 B10 B6 137.86(7) . . . . ?
B1 B5 B10 B6 37.90(7) . . . . ?
B3 B7 B10 B5 -63.62(9) . . . . ?
B2 B7 B10 B5 -0.58(9) . . . . ?
B6 B7 B10 B5 36.69(6) . . . . ?
B8 B7 B10 B5 -100.67(7) . . . . ?
B3 B7 B10 B9 0.04(9) . . . . ?
B2 B7 B10 B9 63.08(9) . . . . ?
B6 B7 B10 B9 100.35(7) . . . . ?
B8 B7 B10 B9 -37.01(6) . . . . ?
B3 B7 B10 B8 37.05(6) . . . . ?
B2 B7 B10 B8 100.10(7) . . . . ?
B6 B7 B10 B8 137.36(7) . . . . ?
B3 B7 B10 B6 -100.31(7) . . . . ?
B2 B7 B10 B6 -37.27(6) . . . . ?
B8 B7 B10 B6 -137.36(7) . . . . ?
C2 B9 B10 B5 36.95(6) . . . . ?
B8 B9 B10 B5 138.24(8) . . . . ?
B4 B9 B10 B5 100.33(7) . . . . ?
C2 B9 B10 B7 -64.03(8) . . . . ?
B8 B9 B10 B7 37.27(7) . . . . ?
B5 B9 B10 B7 -100.97(8) . . . . ?
B4 B9 B10 B7 -0.64(9) . . . . ?
C2 B9 B10 B8 -101.30(7) . . . . ?
B5 B9 B10 B8 -138.24(8) . . . . ?
B4 B9 B10 B8 -37.91(6) . . . . ?
C2 B9 B10 B6 -0.56(9) . . . . ?
B8 B9 B10 B6 100.74(8) . . . . ?
B5 B9 B10 B6 -37.50(7) . . . . ?
B4 B9 B10 B6 62.83(8) . . . . ?
B4 B8 B10 B5 1.21(10) . . . . ?
B9 B8 B10 B5 -37.36(7) . . . . ?
B3 B8 B10 B5 64.35(9) . . . . ?
B7 B8 B10 B5 101.23(8) . . . . ?
B4 B8 B10 B7 -100.02(8) . . . . ?
B9 B8 B10 B7 -138.59(7) . . . . ?
B3 B8 B10 B7 -36.88(6) . . . . ?
B4 B8 B10 B9 38.57(7) . . . . ?
B3 B8 B10 B9 101.71(7) . . . . ?
B7 B8 B10 B9 138.59(7) . . . . ?
B4 B8 B10 B6 -61.96(9) . . . . ?
B9 B8 B10 B6 -100.53(7) . . . . ?
B3 B8 B10 B6 1.18(9) . . . . ?
B7 B8 B10 B6 38.06(6) . . . . ?
B1 B6 B10 B5 -38.50(7) . . . . ?
B2 B6 B10 B5 -101.64(7) . . . . ?
B7 B6 B10 B5 -138.96(7) . . . . ?
B1 B6 B10 B7 100.46(8) . . . . ?
B2 B6 B10 B7 37.32(6) . . . . ?
B5 B6 B10 B7 138.96(7) . . . . ?
B1 B6 B10 B9 -0.86(9) . . . . ?
B2 B6 B10 B9 -64.00(8) . . . . ?
B5 B6 B10 B9 37.64(7) . . . . ?
B7 B6 B10 B9 -101.32(8) . . . . ?
B1 B6 B10 B8 62.25(9) . . . . ?
B2 B6 B10 B8 -0.89(9) . . . . ?
B5 B6 B10 B8 100.75(7) . . . . ?
B7 B6 B10 B8 -38.21(7) . . . . ?
C15 C16 C17 C4 -179.14(9) . . . . ?
C15 C16 C17 C12 -3.78(13) . . . . ?
C5 C4 C17 C16 160.32(8) . . . . ?
C2 C4 C17 C16 -24.90(13) . . . . ?
C5 C4 C17 C12 -14.88(12) . . . . ?
C2 C4 C17 C12 159.90(8) . . . . ?
C11 C12 C17 C16 -171.96(8) . . . . ?
C13 C12 C17 C16 6.60(12) . . . . ?
C11 C12 C17 C4 3.72(13) . . . . ?
C13 C12 C17 C4 -177.72(8) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.42
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.388
_refine_diff_density_min         -0.200
_refine_diff_density_rms         0.049
####################################################################### 
# 
# 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_ydkr_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 1556485'
_audit_update_record             
;
2017-06-16 deposited with the CCDC.
2017-09-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 H20 B10'
_chemical_formula_weight         320.42

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'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pbca

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.2880(4)
_cell_length_b                   20.7225(7)
_cell_length_c                   15.8015(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3368.8(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    9993
_cell_measurement_theta_min      2.63
_cell_measurement_theta_max      27.86

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.70
_exptl_crystal_size_min          0.60
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.264
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1328
_exptl_absorpt_coefficient_mu    0.062
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.9518
_exptl_absorpt_correction_T_max  0.9635
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku R-AXISIP'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            28918
_diffrn_reflns_av_R_equivalents  0.0633
_diffrn_reflns_av_sigmaI/netI    0.0687
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         27.48
_reflns_number_total             3829
_reflns_number_gt                3182
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.1254P)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         3829
_refine_ls_number_parameters     279
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0602
_refine_ls_R_factor_gt           0.0500
_refine_ls_wR_factor_ref         0.1792
_refine_ls_wR_factor_gt          0.1462
_refine_ls_goodness_of_fit_ref   1.149
_refine_ls_restrained_S_all      1.149
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C3 C 0.40340(14) 0.11054(6) 0.17322(8) 0.0217(3) Uani 1 1 d . . .
H17 H 0.3584 0.1470 0.1949 0.026 Uiso 1 1 calc R . .
C4 C 0.19735(14) 0.05360(6) 0.15820(8) 0.0214(3) Uani 1 1 d . . .
H18 H 0.1543 0.0898 0.1820 0.026 Uiso 1 1 calc R . .
C5 C 0.32640(14) -0.06038(6) 0.10771(8) 0.0175(3) Uani 1 1 d . . .
C1 C 0.39894(15) -0.00316(6) 0.12411(8) 0.0190(3) Uani 1 1 d . . .
C2 C 0.39534(13) -0.12587(6) 0.11095(8) 0.0170(3) Uani 1 1 d . . .
C6 C 0.12470(14) 0.00148(6) 0.13038(8) 0.0201(3) Uani 1 1 d . . .
C7 C 0.60008(15) 0.05948(6) 0.12980(8) 0.0214(3) Uani 1 1 d . . .
H19 H 0.6910 0.0622 0.1199 0.026 Uiso 1 1 calc R . .
C8 C 0.10540(13) -0.10223(6) 0.06009(9) 0.0202(3) Uani 1 1 d . . .
H20 H 0.1435 -0.1386 0.0333 0.024 Uiso 1 1 calc R . .
C9 C 0.18860(14) -0.05575(6) 0.09975(8) 0.0190(3) Uani 1 1 d . . .
C10 C -0.02621(14) -0.09606(6) 0.05943(10) 0.0240(3) Uani 1 1 d . . .
H21 H -0.0775 -0.1280 0.0322 0.029 Uiso 1 1 calc R . .
B1 B 0.37821(15) -0.18202(7) 0.03012(9) 0.0189(3) Uani 1 1 d . . .
H1 H 0.3196(13) -0.1693(6) -0.0226(9) 0.019(4) Uiso 1 1 d . . .
C16 C 0.30438(15) -0.19118(6) 0.12688(8) 0.0176(3) Uani 1 1 d . . .
H16 H 0.2089(19) -0.1824(7) 0.1304(10) 0.033(5) Uiso 1 1 d . . .
C11 C 0.53355(14) 0.11349(6) 0.16329(9) 0.0220(3) Uani 1 1 d . . .
H22 H 0.5799 0.1514 0.1786 0.026 Uiso 1 1 calc R . .
C12 C 0.53624(14) 0.00365(6) 0.11155(8) 0.0192(3) Uani 1 1 d . . .
H23 H 0.5841 -0.0319 0.0898 0.023 Uiso 1 1 calc R . .
C13 C 0.33193(14) 0.05387(6) 0.15189(8) 0.0194(3) Uani 1 1 d . . .
C14 C -0.01391(16) 0.00504(7) 0.13128(9) 0.0241(3) Uani 1 1 d . . .
H24 H -0.0550 0.0418 0.1553 0.029 Uiso 1 1 calc R . .
B3 B 0.36462(15) -0.25863(7) 0.08040(10) 0.0189(3) Uani 1 1 d . . .
H3 H 0.2968(15) -0.2940(6) 0.0550(9) 0.020(4) Uiso 1 1 d . . .
H4 H 0.5518(15) -0.2546(7) -0.0206(10) 0.024(4) Uiso 1 1 d . . .
B5 B 0.61467(16) -0.20542(7) 0.12087(10) 0.0196(3) Uani 1 1 d . . .
H5 H 0.7231(17) -0.2085(7) 0.1169(9) 0.026(4) Uiso 1 1 d . . .
B6 B 0.52498(15) -0.21425(7) 0.21713(10) 0.0196(3) Uani 1 1 d . . .
H6 H 0.5687(15) -0.2230(7) 0.2763(10) 0.022(4) Uiso 1 1 d . . .
B7 B 0.53787(15) -0.13747(7) 0.16789(10) 0.0190(3) Uani 1 1 d . . .
H7 H 0.5869(15) -0.0965(7) 0.1966(11) 0.028(4) Uiso 1 1 d . . .
B8 B 0.37221(15) -0.24661(7) 0.19189(10) 0.0191(3) Uani 1 1 d . . .
H8 H 0.3069(15) -0.2733(7) 0.2316(10) 0.022(4) Uiso 1 1 d . . .
B9 B 0.53151(15) -0.14905(7) 0.05577(10) 0.0185(3) Uani 1 1 d . . .
H9 H 0.5745(16) -0.1141(7) 0.0107(10) 0.031(4) Uiso 1 1 d . . .
B10 B 0.51142(16) -0.27381(7) 0.13567(10) 0.0203(3) Uani 1 1 d . . .
H10 H 0.5507(17) -0.3239(7) 0.1438(10) 0.029(4) Uiso 1 1 d . . .
B11 B 0.38857(15) -0.16253(7) 0.21161(9) 0.0189(3) Uani 1 1 d . . .
H11 H 0.3356(15) -0.1377(6) 0.2604(9) 0.022(4) Uiso 1 1 d . . .
C15 C -0.08803(15) -0.04290(6) 0.09854(10) 0.0260(3) Uani 1 1 d . . .
H25 H -0.1801 -0.0408 0.1018 0.031 Uiso 1 1 calc R . .
B13 B 0.51440(15) -0.23304(7) 0.03614(10) 0.0194(3) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C3 C11 1.3495(19) . ?
C3 C13 1.4259(18) . ?
C4 C6 1.3850(19) . ?
C4 C13 1.388(2) . ?
C5 C1 1.4249(18) . ?
C5 C9 1.426(2) . ?
C5 C2 1.5322(17) . ?
C1 C12 1.433(2) . ?
C1 C13 1.4368(18) . ?
C2 C16 1.6645(18) . ?
C2 B9 1.719(2) . ?
C2 B1 1.7367(18) . ?
C2 B7 1.737(2) . ?
C2 B11 1.7641(19) . ?
C6 C14 1.428(2) . ?
C6 C9 1.4398(18) . ?
C7 C12 1.3611(18) . ?
C7 C11 1.4148(19) . ?
C8 C10 1.3601(19) . ?
C8 C9 1.4330(18) . ?
C10 C15 1.4143(19) . ?
B1 C16 1.7177(19) . ?
B1 B13 1.758(2) . ?
B1 B9 1.766(2) . ?
B1 B3 1.781(2) . ?
C16 B8 1.6916(19) . ?
C16 B3 1.6962(19) . ?
C16 B11 1.701(2) . ?
C14 C15 1.355(2) . ?
B3 B10 1.773(2) . ?
B3 B13 1.773(2) . ?
B3 B8 1.781(2) . ?
B5 B9 1.776(2) . ?
B5 B7 1.777(2) . ?
B5 B13 1.784(2) . ?
B5 B10 1.786(2) . ?
B5 B6 1.788(2) . ?
B6 B8 1.755(2) . ?
B6 B11 1.768(2) . ?
B6 B7 1.776(2) . ?
B6 B10 1.789(2) . ?
B7 B11 1.762(2) . ?
B7 B9 1.789(2) . ?
B8 B10 1.777(2) . ?
B8 B11 1.778(2) . ?
B9 B13 1.777(2) . ?
B10 B13 1.786(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
C11 C3 C13 121.43(13) . . ?
C6 C4 C13 121.23(13) . . ?
C1 C5 C9 118.73(12) . . ?
C1 C5 C2 119.25(12) . . ?
C9 C5 C2 121.51(11) . . ?
C5 C1 C12 124.95(12) . . ?
C5 C1 C13 119.26(13) . . ?
C12 C1 C13 115.73(12) . . ?
C5 C2 C16 117.71(11) . . ?
C5 C2 B9 127.45(11) . . ?
C16 C2 B9 107.92(10) . . ?
C5 C2 B1 121.45(10) . . ?
C16 C2 B1 60.62(8) . . ?
B9 C2 B1 61.47(8) . . ?
C5 C2 B7 122.05(10) . . ?
C16 C2 B7 106.49(10) . . ?
B9 C2 B7 62.35(9) . . ?
B1 C2 B7 111.96(10) . . ?
C5 C2 B11 113.16(10) . . ?
C16 C2 B11 59.42(8) . . ?
B9 C2 B11 111.67(10) . . ?
B1 C2 B11 111.75(9) . . ?
B7 C2 B11 60.45(8) . . ?
C4 C6 C14 119.70(13) . . ?
C4 C6 C9 120.17(13) . . ?
C14 C6 C9 120.13(12) . . ?
C12 C7 C11 121.21(14) . . ?
C10 C8 C9 122.34(12) . . ?
C5 C9 C8 125.95(12) . . ?
C5 C9 C6 118.66(12) . . ?
C8 C9 C6 115.34(12) . . ?
C8 C10 C15 121.17(13) . . ?
C16 B1 C2 57.61(7) . . ?
C16 B1 B13 103.76(10) . . ?
C2 B1 B13 106.40(10) . . ?
C16 B1 B9 103.49(10) . . ?
C2 B1 B9 58.76(8) . . ?
B13 B1 B9 60.55(9) . . ?
C16 B1 B3 57.97(8) . . ?
C2 B1 B3 106.09(10) . . ?
B13 B1 B3 60.15(9) . . ?
B9 B1 B3 108.21(11) . . ?
C2 C16 B8 114.33(11) . . ?
C2 C16 B3 113.52(11) . . ?
B8 C16 B3 63.43(8) . . ?
C2 C16 B11 63.20(8) . . ?
B8 C16 B11 63.20(8) . . ?
B3 C16 B11 116.25(11) . . ?
C2 C16 B1 61.77(8) . . ?
B8 C16 B1 115.67(11) . . ?
B3 C16 B1 62.88(8) . . ?
B11 C16 B1 115.90(11) . . ?
C3 C11 C7 119.18(12) . . ?
C7 C12 C1 121.99(13) . . ?
C4 C13 C3 120.04(12) . . ?
C4 C13 C1 119.82(12) . . ?
C3 C13 C1 120.14(13) . . ?
C15 C14 C6 121.35(13) . . ?
C16 B3 B10 104.14(10) . . ?
C16 B3 B13 103.99(10) . . ?
B10 B3 B13 60.47(9) . . ?
C16 B3 B1 59.15(8) . . ?
B10 B3 B1 108.13(11) . . ?
B13 B3 B1 59.28(8) . . ?
C16 B3 B8 58.16(8) . . ?
B10 B3 B8 60.01(9) . . ?
B13 B3 B8 108.07(10) . . ?
B1 B3 B8 108.25(10) . . ?
B9 B5 B7 60.45(8) . . ?
B9 B5 B13 59.86(8) . . ?
B7 B5 B13 108.10(11) . . ?
B9 B5 B10 108.13(11) . . ?
B7 B5 B10 108.03(11) . . ?
B13 B5 B10 60.00(9) . . ?
B9 B5 B6 108.14(11) . . ?
B7 B5 B6 59.75(8) . . ?
B13 B5 B6 107.88(11) . . ?
B10 B5 B6 60.05(9) . . ?
B8 B6 B11 60.62(8) . . ?
B8 B6 B7 108.04(10) . . ?
B11 B6 B7 59.64(8) . . ?
B8 B6 B5 107.93(11) . . ?
B11 B6 B5 107.79(10) . . ?
B7 B6 B5 59.82(8) . . ?
B8 B6 B10 60.19(9) . . ?
B11 B6 B10 108.72(11) . . ?
B7 B6 B10 107.98(11) . . ?
B5 B6 B10 59.92(9) . . ?
C2 B7 B11 60.54(8) . . ?
C2 B7 B6 106.72(10) . . ?
B11 B7 B6 59.95(8) . . ?
C2 B7 B5 105.57(10) . . ?
B11 B7 B5 108.53(10) . . ?
B6 B7 B5 60.43(9) . . ?
C2 B7 B9 58.32(8) . . ?
B11 B7 B9 108.46(10) . . ?
B6 B7 B9 108.11(10) . . ?
B5 B7 B9 59.73(8) . . ?
C16 B8 B6 104.36(10) . . ?
C16 B8 B10 104.14(11) . . ?
B6 B8 B10 60.86(9) . . ?
C16 B8 B11 58.67(8) . . ?
B6 B8 B11 60.06(8) . . ?
B10 B8 B11 108.80(11) . . ?
C16 B8 B3 58.41(8) . . ?
B6 B8 B3 108.52(11) . . ?
B10 B8 B3 59.77(9) . . ?
B11 B8 B3 108.34(10) . . ?
C2 B9 B1 59.77(8) . . ?
C2 B9 B5 106.42(10) . . ?
B1 B9 B5 107.98(10) . . ?
C2 B9 B13 106.36(10) . . ?
B1 B9 B13 59.50(8) . . ?
B5 B9 B13 60.30(9) . . ?
C2 B9 B7 59.33(8) . . ?
B1 B9 B7 108.17(10) . . ?
B5 B9 B7 59.81(8) . . ?
B13 B9 B7 107.94(10) . . ?
B3 B10 B8 60.22(9) . . ?
B3 B10 B13 59.79(9) . . ?
B8 B10 B13 107.70(11) . . ?
B3 B10 B5 107.54(11) . . ?
B8 B10 B5 107.04(11) . . ?
B13 B10 B5 59.94(8) . . ?
B3 B10 B6 107.37(11) . . ?
B8 B10 B6 58.95(9) . . ?
B13 B10 B6 107.82(10) . . ?
B5 B10 B6 60.03(8) . . ?
C16 B11 B7 103.77(10) . . ?
C16 B11 C2 57.38(7) . . ?
B7 B11 C2 59.02(8) . . ?
C16 B11 B6 103.38(10) . . ?
B7 B11 B6 60.41(9) . . ?
C2 B11 B6 105.92(10) . . ?
C16 B11 B8 58.13(8) . . ?
B7 B11 B8 107.61(11) . . ?
C2 B11 B8 105.53(10) . . ?
B6 B11 B8 59.32(8) . . ?
C14 C15 C10 119.01(14) . . ?
B1 B13 B3 60.57(8) . . ?
B1 B13 B9 59.95(8) . . ?
B3 B13 B9 108.07(10) . . ?
B1 B13 B5 107.97(10) . . ?
B3 B13 B5 107.60(11) . . ?
B9 B13 B5 59.84(8) . . ?
B1 B13 B10 108.58(11) . . ?
B3 B13 B10 59.75(9) . . ?
B9 B13 B10 108.15(11) . . ?
B5 B13 B10 60.05(9) . . ?

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
C9 C5 C1 C12 -162.43(12) . . . . ?
C2 C5 C1 C12 25.72(18) . . . . ?
C9 C5 C1 C13 14.67(18) . . . . ?
C2 C5 C1 C13 -157.18(12) . . . . ?
C1 C5 C2 C16 158.04(11) . . . . ?
C9 C5 C2 C16 -13.57(17) . . . . ?
C1 C5 C2 B9 -54.82(17) . . . . ?
C9 C5 C2 B9 133.56(13) . . . . ?
C1 C5 C2 B1 -131.13(12) . . . . ?
C9 C5 C2 B1 57.26(17) . . . . ?
C1 C5 C2 B7 23.05(17) . . . . ?
C9 C5 C2 B7 -148.56(12) . . . . ?
C1 C5 C2 B11 91.64(14) . . . . ?
C9 C5 C2 B11 -79.98(14) . . . . ?
C13 C4 C6 C14 -174.76(13) . . . . ?
C13 C4 C6 C9 4.52(19) . . . . ?
C1 C5 C9 C8 160.62(13) . . . . ?
C2 C5 C9 C8 -27.72(19) . . . . ?
C1 C5 C9 C6 -16.45(18) . . . . ?
C2 C5 C9 C6 155.20(11) . . . . ?
C10 C8 C9 C5 176.07(13) . . . . ?
C10 C8 C9 C6 -6.77(19) . . . . ?
C4 C6 C9 C5 7.05(18) . . . . ?
C14 C6 C9 C5 -173.68(12) . . . . ?
C4 C6 C9 C8 -170.33(12) . . . . ?
C14 C6 C9 C8 8.94(18) . . . . ?
C9 C8 C10 C15 -0.2(2) . . . . ?
C5 C2 B1 C16 -106.33(13) . . . . ?
B9 C2 B1 C16 135.07(11) . . . . ?
B7 C2 B1 C16 97.13(11) . . . . ?
B11 C2 B1 C16 31.45(10) . . . . ?
C5 C2 B1 B13 157.54(12) . . . . ?
C16 C2 B1 B13 -96.14(11) . . . . ?
B9 C2 B1 B13 38.93(10) . . . . ?
B7 C2 B1 B13 1.00(14) . . . . ?
B11 C2 B1 B13 -64.69(13) . . . . ?
C5 C2 B1 B9 118.60(13) . . . . ?
C16 C2 B1 B9 -135.07(11) . . . . ?
B7 C2 B1 B9 -37.94(10) . . . . ?
B11 C2 B1 B9 -103.63(11) . . . . ?
C5 C2 B1 B3 -139.54(12) . . . . ?
C16 C2 B1 B3 -33.21(10) . . . . ?
B9 C2 B1 B3 101.86(11) . . . . ?
B7 C2 B1 B3 63.92(13) . . . . ?
B11 C2 B1 B3 -1.77(14) . . . . ?
C5 C2 C16 B8 -140.36(11) . . . . ?
B9 C2 C16 B8 66.56(13) . . . . ?
B1 C2 C16 B8 107.26(12) . . . . ?
B7 C2 C16 B8 0.95(14) . . . . ?
B11 C2 C16 B8 -38.48(10) . . . . ?
C5 C2 C16 B3 149.44(11) . . . . ?
B9 C2 C16 B3 -3.64(14) . . . . ?
B1 C2 C16 B3 37.06(10) . . . . ?
B7 C2 C16 B3 -69.26(13) . . . . ?
B11 C2 C16 B3 -108.69(12) . . . . ?
C5 C2 C16 B11 -101.87(12) . . . . ?
B9 C2 C16 B11 105.05(11) . . . . ?
B1 C2 C16 B11 145.75(11) . . . . ?
B7 C2 C16 B11 39.43(10) . . . . ?
C5 C2 C16 B1 112.38(12) . . . . ?
B9 C2 C16 B1 -40.70(10) . . . . ?
B7 C2 C16 B1 -106.31(11) . . . . ?
B11 C2 C16 B1 -145.75(11) . . . . ?
B13 B1 C16 C2 100.88(11) . . . . ?
B9 B1 C16 C2 38.39(9) . . . . ?
B3 B1 C16 C2 141.63(11) . . . . ?
C2 B1 C16 B8 -105.12(12) . . . . ?
B13 B1 C16 B8 -4.23(14) . . . . ?
B9 B1 C16 B8 -66.73(13) . . . . ?
B3 B1 C16 B8 36.51(10) . . . . ?
C2 B1 C16 B3 -141.63(11) . . . . ?
B13 B1 C16 B3 -40.74(10) . . . . ?
B9 B1 C16 B3 -103.24(11) . . . . ?
C2 B1 C16 B11 -33.95(10) . . . . ?
B13 B1 C16 B11 66.94(13) . . . . ?
B9 B1 C16 B11 4.44(14) . . . . ?
B3 B1 C16 B11 107.68(12) . . . . ?
C13 C3 C11 C7 0.95(19) . . . . ?
C12 C7 C11 C3 -3.4(2) . . . . ?
C11 C7 C12 C1 0.8(2) . . . . ?
C5 C1 C12 C7 -178.92(12) . . . . ?
C13 C1 C12 C7 3.89(19) . . . . ?
C6 C4 C13 C3 173.81(12) . . . . ?
C6 C4 C13 C1 -6.4(2) . . . . ?
C11 C3 C13 C4 -176.27(13) . . . . ?
C11 C3 C13 C1 3.9(2) . . . . ?
C5 C1 C13 C4 -3.31(19) . . . . ?
C12 C1 C13 C4 174.05(12) . . . . ?
C5 C1 C13 C3 176.47(12) . . . . ?
C12 C1 C13 C3 -6.17(18) . . . . ?
C4 C6 C14 C15 174.83(13) . . . . ?
C9 C6 C14 C15 -4.4(2) . . . . ?
C2 C16 B3 B10 66.28(13) . . . . ?
B8 C16 B3 B10 -40.26(10) . . . . ?
B11 C16 B3 B10 -4.23(14) . . . . ?
B1 C16 B3 B10 102.90(11) . . . . ?
C2 C16 B3 B13 3.74(14) . . . . ?
B8 C16 B3 B13 -102.80(11) . . . . ?
B11 C16 B3 B13 -66.77(13) . . . . ?
B1 C16 B3 B13 40.36(10) . . . . ?
C2 C16 B3 B1 -36.62(10) . . . . ?
B8 C16 B3 B1 -143.16(11) . . . . ?
B11 C16 B3 B1 -107.13(12) . . . . ?
C2 C16 B3 B8 106.54(12) . . . . ?
B11 C16 B3 B8 36.03(10) . . . . ?
B1 C16 B3 B8 143.16(11) . . . . ?
C2 B1 B3 C16 33.06(9) . . . . ?
B13 B1 B3 C16 133.04(11) . . . . ?
B9 B1 B3 C16 94.81(11) . . . . ?
C16 B1 B3 B10 -95.96(11) . . . . ?
C2 B1 B3 B10 -62.89(13) . . . . ?
B13 B1 B3 B10 37.08(10) . . . . ?
B9 B1 B3 B10 -1.14(14) . . . . ?
C16 B1 B3 B13 -133.04(11) . . . . ?
C2 B1 B3 B13 -99.97(11) . . . . ?
B9 B1 B3 B13 -38.22(10) . . . . ?
C16 B1 B3 B8 -32.43(10) . . . . ?
C2 B1 B3 B8 0.63(13) . . . . ?
B13 B1 B3 B8 100.60(11) . . . . ?
B9 B1 B3 B8 62.38(13) . . . . ?
B9 B5 B6 B8 63.20(13) . . . . ?
B7 B5 B6 B8 100.85(11) . . . . ?
B13 B5 B6 B8 -0.09(14) . . . . ?
B10 B5 B6 B8 -37.70(10) . . . . ?
B9 B5 B6 B11 -0.85(14) . . . . ?
B7 B5 B6 B11 36.80(10) . . . . ?
B13 B5 B6 B11 -64.14(13) . . . . ?
B10 B5 B6 B11 -101.75(11) . . . . ?
B9 B5 B6 B7 -37.65(10) . . . . ?
B13 B5 B6 B7 -100.94(12) . . . . ?
B10 B5 B6 B7 -138.55(11) . . . . ?
B9 B5 B6 B10 100.90(12) . . . . ?
B7 B5 B6 B10 138.55(11) . . . . ?
B13 B5 B6 B10 37.61(10) . . . . ?
C5 C2 B7 B11 100.28(12) . . . . ?
C16 C2 B7 B11 -38.95(9) . . . . ?
B9 C2 B7 B11 -140.91(10) . . . . ?
B1 C2 B7 B11 -103.34(11) . . . . ?
C5 C2 B7 B6 139.90(11) . . . . ?
C16 C2 B7 B6 0.66(13) . . . . ?
B9 C2 B7 B6 -101.30(11) . . . . ?
B1 C2 B7 B6 -63.72(13) . . . . ?
B11 C2 B7 B6 39.61(9) . . . . ?
C5 C2 B7 B5 -156.92(11) . . . . ?
C16 C2 B7 B5 63.84(12) . . . . ?
B9 C2 B7 B5 -38.12(10) . . . . ?
B1 C2 B7 B5 -0.54(13) . . . . ?
B11 C2 B7 B5 102.79(11) . . . . ?
C5 C2 B7 B9 -118.81(13) . . . . ?
C16 C2 B7 B9 101.96(10) . . . . ?
B1 C2 B7 B9 37.57(10) . . . . ?
B11 C2 B7 B9 140.91(10) . . . . ?
B8 B6 B7 C2 -1.95(14) . . . . ?
B11 B6 B7 C2 -39.89(10) . . . . ?
B5 B6 B7 C2 98.72(11) . . . . ?
B10 B6 B7 C2 61.69(13) . . . . ?
B8 B6 B7 B11 37.94(10) . . . . ?
B5 B6 B7 B11 138.62(11) . . . . ?
B10 B6 B7 B11 101.59(12) . . . . ?
B8 B6 B7 B5 -100.67(12) . . . . ?
B11 B6 B7 B5 -138.62(11) . . . . ?
B10 B6 B7 B5 -37.03(11) . . . . ?
B8 B6 B7 B9 -63.35(13) . . . . ?
B11 B6 B7 B9 -101.29(11) . . . . ?
B5 B6 B7 B9 37.33(10) . . . . ?
B10 B6 B7 B9 0.30(14) . . . . ?
B9 B5 B7 C2 37.46(9) . . . . ?
B13 B5 B7 C2 -0.12(13) . . . . ?
B10 B5 B7 C2 -63.59(12) . . . . ?
B6 B5 B7 C2 -100.69(11) . . . . ?
B9 B5 B7 B11 101.02(11) . . . . ?
B13 B5 B7 B11 63.44(13) . . . . ?
B10 B5 B7 B11 -0.02(14) . . . . ?
B6 B5 B7 B11 -37.12(10) . . . . ?
B9 B5 B7 B6 138.14(11) . . . . ?
B13 B5 B7 B6 100.56(12) . . . . ?
B10 B5 B7 B6 37.10(10) . . . . ?
B13 B5 B7 B9 -37.58(10) . . . . ?
B10 B5 B7 B9 -101.05(11) . . . . ?
B6 B5 B7 B9 -138.14(11) . . . . ?
C2 C16 B8 B6 -2.14(14) . . . . ?
B3 C16 B8 B6 103.15(11) . . . . ?
B11 C16 B8 B6 -40.62(10) . . . . ?
B1 C16 B8 B6 66.84(13) . . . . ?
C2 C16 B8 B10 -65.14(13) . . . . ?
B3 C16 B8 B10 40.14(10) . . . . ?
B11 C16 B8 B10 -103.63(11) . . . . ?
B1 C16 B8 B10 3.84(14) . . . . ?
C2 C16 B8 B11 38.49(10) . . . . ?
B3 C16 B8 B11 143.77(11) . . . . ?
B1 C16 B8 B11 107.47(12) . . . . ?
C2 C16 B8 B3 -105.28(12) . . . . ?
B11 C16 B8 B3 -143.77(11) . . . . ?
B1 C16 B8 B3 -36.30(10) . . . . ?
B11 B6 B8 C16 39.93(9) . . . . ?
B7 B6 B8 C16 2.42(14) . . . . ?
B5 B6 B8 C16 -60.82(12) . . . . ?
B10 B6 B8 C16 -98.39(11) . . . . ?
B11 B6 B8 B10 138.32(11) . . . . ?
B7 B6 B8 B10 100.81(11) . . . . ?
B5 B6 B8 B10 37.58(10) . . . . ?
B7 B6 B8 B11 -37.51(10) . . . . ?
B5 B6 B8 B11 -100.74(11) . . . . ?
B10 B6 B8 B11 -138.32(11) . . . . ?
B11 B6 B8 B3 100.95(11) . . . . ?
B7 B6 B8 B3 63.44(13) . . . . ?
B5 B6 B8 B3 0.21(13) . . . . ?
B10 B6 B8 B3 -37.37(10) . . . . ?
B10 B3 B8 C16 133.65(11) . . . . ?
B13 B3 B8 C16 95.55(11) . . . . ?
B1 B3 B8 C16 32.82(10) . . . . ?
C16 B3 B8 B6 -95.80(11) . . . . ?
B10 B3 B8 B6 37.85(10) . . . . ?
B13 B3 B8 B6 -0.25(13) . . . . ?
B1 B3 B8 B6 -62.98(12) . . . . ?
C16 B3 B8 B10 -133.65(11) . . . . ?
B13 B3 B8 B10 -38.10(10) . . . . ?
B1 B3 B8 B10 -100.83(11) . . . . ?
C16 B3 B8 B11 -32.13(10) . . . . ?
B10 B3 B8 B11 101.52(12) . . . . ?
B13 B3 B8 B11 63.42(12) . . . . ?
B1 B3 B8 B11 0.69(13) . . . . ?
C5 C2 B9 B1 -109.37(14) . . . . ?
C16 C2 B9 B1 40.30(10) . . . . ?
B7 C2 B9 B1 139.93(10) . . . . ?
B11 C2 B9 B1 103.76(10) . . . . ?
C5 C2 B9 B5 149.04(12) . . . . ?
C16 C2 B9 B5 -61.28(12) . . . . ?
B1 C2 B9 B5 -101.58(11) . . . . ?
B7 C2 B9 B5 38.35(10) . . . . ?
B11 C2 B9 B5 2.18(13) . . . . ?
C5 C2 B9 B13 -147.82(12) . . . . ?
C16 C2 B9 B13 1.86(13) . . . . ?
B1 C2 B9 B13 -38.44(10) . . . . ?
B7 C2 B9 B13 101.49(11) . . . . ?
B11 C2 B9 B13 65.32(12) . . . . ?
C5 C2 B9 B7 110.70(14) . . . . ?
C16 C2 B9 B7 -99.63(10) . . . . ?
B1 C2 B9 B7 -139.93(10) . . . . ?
B11 C2 B9 B7 -36.17(10) . . . . ?
C16 B1 B9 C2 -37.83(9) . . . . ?
B13 B1 B9 C2 -136.18(11) . . . . ?
B3 B1 B9 C2 -98.14(11) . . . . ?
C16 B1 B9 B5 61.08(12) . . . . ?
C2 B1 B9 B5 98.91(11) . . . . ?
B13 B1 B9 B5 -37.28(10) . . . . ?
B3 B1 B9 B5 0.77(14) . . . . ?
C16 B1 B9 B13 98.36(11) . . . . ?
C2 B1 B9 B13 136.18(11) . . . . ?
B3 B1 B9 B13 38.04(10) . . . . ?
C16 B1 B9 B7 -2.18(13) . . . . ?
C2 B1 B9 B7 35.64(9) . . . . ?
B13 B1 B9 B7 -100.54(11) . . . . ?
B3 B1 B9 B7 -62.50(12) . . . . ?
B7 B5 B9 C2 -38.12(9) . . . . ?
B13 B5 B9 C2 99.79(11) . . . . ?
B10 B5 B9 C2 62.76(12) . . . . ?
B6 B5 B9 C2 -0.78(13) . . . . ?
B7 B5 B9 B1 -100.98(11) . . . . ?
B13 B5 B9 B1 36.93(10) . . . . ?
B10 B5 B9 B1 -0.10(14) . . . . ?
B6 B5 B9 B1 -63.64(13) . . . . ?
B7 B5 B9 B13 -137.91(11) . . . . ?
B10 B5 B9 B13 -37.03(10) . . . . ?
B6 B5 B9 B13 -100.57(12) . . . . ?
B13 B5 B9 B7 137.91(11) . . . . ?
B10 B5 B9 B7 100.88(11) . . . . ?
B6 B5 B9 B7 37.34(10) . . . . ?
B11 B7 B9 C2 35.36(9) . . . . ?
B6 B7 B9 C2 98.86(11) . . . . ?
B5 B7 B9 C2 136.49(11) . . . . ?
C2 B7 B9 B1 -35.83(9) . . . . ?
B11 B7 B9 B1 -0.47(13) . . . . ?
B6 B7 B9 B1 63.03(13) . . . . ?
B5 B7 B9 B1 100.66(11) . . . . ?
C2 B7 B9 B5 -136.49(11) . . . . ?
B11 B7 B9 B5 -101.13(11) . . . . ?
B6 B7 B9 B5 -37.63(10) . . . . ?
C2 B7 B9 B13 -98.75(11) . . . . ?
B11 B7 B9 B13 -63.39(13) . . . . ?
B6 B7 B9 B13 0.10(14) . . . . ?
B5 B7 B9 B13 37.74(10) . . . . ?
C16 B3 B10 B8 39.34(9) . . . . ?
B13 B3 B10 B8 137.61(11) . . . . ?
B1 B3 B10 B8 101.04(11) . . . . ?
C16 B3 B10 B13 -98.27(11) . . . . ?
B1 B3 B10 B13 -36.57(10) . . . . ?
B8 B3 B10 B13 -137.61(11) . . . . ?
C16 B3 B10 B5 -60.64(13) . . . . ?
B13 B3 B10 B5 37.64(10) . . . . ?
B1 B3 B10 B5 1.07(14) . . . . ?
B8 B3 B10 B5 -99.97(11) . . . . ?
C16 B3 B10 B6 2.61(13) . . . . ?
B13 B3 B10 B6 100.89(11) . . . . ?
B1 B3 B10 B6 64.32(13) . . . . ?
B8 B3 B10 B6 -36.72(10) . . . . ?
C16 B8 B10 B3 -39.46(9) . . . . ?
B6 B8 B10 B3 -138.23(11) . . . . ?
B11 B8 B10 B3 -100.74(11) . . . . ?
C16 B8 B10 B13 -1.76(13) . . . . ?
B6 B8 B10 B13 -100.53(11) . . . . ?
B11 B8 B10 B13 -63.04(13) . . . . ?
B3 B8 B10 B13 37.70(10) . . . . ?
C16 B8 B10 B5 61.36(13) . . . . ?
B6 B8 B10 B5 -37.41(10) . . . . ?
B11 B8 B10 B5 0.09(14) . . . . ?
B3 B8 B10 B5 100.82(11) . . . . ?
C16 B8 B10 B6 98.77(11) . . . . ?
B11 B8 B10 B6 37.49(10) . . . . ?
B3 B8 B10 B6 138.23(11) . . . . ?
B9 B5 B10 B3 -0.60(14) . . . . ?
B7 B5 B10 B3 63.35(13) . . . . ?
B13 B5 B10 B3 -37.57(10) . . . . ?
B6 B5 B10 B3 100.32(11) . . . . ?
B9 B5 B10 B8 -63.99(13) . . . . ?
B7 B5 B10 B8 -0.04(14) . . . . ?
B13 B5 B10 B8 -100.96(11) . . . . ?
B6 B5 B10 B8 36.93(10) . . . . ?
B9 B5 B10 B13 36.97(10) . . . . ?
B7 B5 B10 B13 100.92(12) . . . . ?
B6 B5 B10 B13 137.88(11) . . . . ?
B9 B5 B10 B6 -100.92(11) . . . . ?
B7 B5 B10 B6 -36.97(10) . . . . ?
B13 B5 B10 B6 -137.88(11) . . . . ?
B8 B6 B10 B3 37.29(10) . . . . ?
B11 B6 B10 B3 -0.44(14) . . . . ?
B7 B6 B10 B3 -63.62(13) . . . . ?
B5 B6 B10 B3 -100.61(12) . . . . ?
B11 B6 B10 B8 -37.72(10) . . . . ?
B7 B6 B10 B8 -100.91(11) . . . . ?
B5 B6 B10 B8 -137.89(11) . . . . ?
B8 B6 B10 B13 100.33(12) . . . . ?
B11 B6 B10 B13 62.61(14) . . . . ?
B7 B6 B10 B13 -0.58(15) . . . . ?
B5 B6 B10 B13 -37.57(10) . . . . ?
B8 B6 B10 B5 137.89(11) . . . . ?
B11 B6 B10 B5 100.17(11) . . . . ?
B7 B6 B10 B5 36.99(10) . . . . ?
C2 C16 B11 B7 -38.17(9) . . . . ?
B8 C16 B11 B7 102.39(11) . . . . ?
B3 C16 B11 B7 66.27(13) . . . . ?
B1 C16 B11 B7 -4.72(14) . . . . ?
B8 C16 B11 C2 140.56(11) . . . . ?
B3 C16 B11 C2 104.45(12) . . . . ?
B1 C16 B11 C2 33.45(10) . . . . ?
C2 C16 B11 B6 -100.51(10) . . . . ?
B8 C16 B11 B6 40.05(10) . . . . ?
B3 C16 B11 B6 3.94(14) . . . . ?
B1 C16 B11 B6 -67.06(13) . . . . ?
C2 C16 B11 B8 -140.56(11) . . . . ?
B3 C16 B11 B8 -36.11(10) . . . . ?
B1 C16 B11 B8 -107.11(12) . . . . ?
C2 B7 B11 C16 37.39(9) . . . . ?
B6 B7 B11 C16 -97.75(11) . . . . ?
B5 B7 B11 C16 -60.42(12) . . . . ?
B9 B7 B11 C16 2.94(13) . . . . ?
B6 B7 B11 C2 -135.13(10) . . . . ?
B5 B7 B11 C2 -97.80(11) . . . . ?
B9 B7 B11 C2 -34.45(9) . . . . ?
C2 B7 B11 B6 135.13(10) . . . . ?
B5 B7 B11 B6 37.33(10) . . . . ?
B9 B7 B11 B6 100.68(11) . . . . ?
C2 B7 B11 B8 97.88(11) . . . . ?
B6 B7 B11 B8 -37.26(10) . . . . ?
B5 B7 B11 B8 0.08(14) . . . . ?
B9 B7 B11 B8 63.43(13) . . . . ?
C5 C2 B11 C16 109.55(12) . . . . ?
B9 C2 B11 C16 -98.62(11) . . . . ?
B1 C2 B11 C16 -31.87(10) . . . . ?
B7 C2 B11 C16 -135.56(11) . . . . ?
C5 C2 B11 B7 -114.89(12) . . . . ?
C16 C2 B11 B7 135.56(11) . . . . ?
B9 C2 B11 B7 36.94(10) . . . . ?
B1 C2 B11 B7 103.68(11) . . . . ?
C5 C2 B11 B6 -154.53(11) . . . . ?
C16 C2 B11 B6 95.92(11) . . . . ?
B9 C2 B11 B6 -2.70(13) . . . . ?
B1 C2 B11 B6 64.05(13) . . . . ?
B7 C2 B11 B6 -39.64(10) . . . . ?
C5 C2 B11 B8 143.60(11) . . . . ?
C16 C2 B11 B8 34.05(10) . . . . ?
B9 C2 B11 B8 -64.56(13) . . . . ?
B1 C2 B11 B8 2.18(14) . . . . ?
B7 C2 B11 B8 -101.51(11) . . . . ?
B8 B6 B11 C16 -39.45(10) . . . . ?
B7 B6 B11 C16 98.41(11) . . . . ?
B5 B6 B11 C16 61.53(13) . . . . ?
B10 B6 B11 C16 -1.92(13) . . . . ?
B8 B6 B11 B7 -137.86(11) . . . . ?
B5 B6 B11 B7 -36.88(10) . . . . ?
B10 B6 B11 B7 -100.33(11) . . . . ?
B8 B6 B11 C2 -98.89(11) . . . . ?
B7 B6 B11 C2 38.97(9) . . . . ?
B5 B6 B11 C2 2.09(13) . . . . ?
B10 B6 B11 C2 -61.36(13) . . . . ?
B7 B6 B11 B8 137.86(11) . . . . ?
B5 B6 B11 B8 100.98(12) . . . . ?
B10 B6 B11 B8 37.53(10) . . . . ?
B6 B8 B11 C16 133.29(11) . . . . ?
B10 B8 B11 C16 95.45(12) . . . . ?
B3 B8 B11 C16 32.03(10) . . . . ?
C16 B8 B11 B7 -95.55(11) . . . . ?
B6 B8 B11 B7 37.74(10) . . . . ?
B10 B8 B11 B7 -0.10(14) . . . . ?
B3 B8 B11 B7 -63.52(13) . . . . ?
C16 B8 B11 C2 -33.73(9) . . . . ?
B6 B8 B11 C2 99.56(11) . . . . ?
B10 B8 B11 C2 61.72(13) . . . . ?
B3 B8 B11 C2 -1.70(13) . . . . ?
C16 B8 B11 B6 -133.29(11) . . . . ?
B10 B8 B11 B6 -37.84(10) . . . . ?
B3 B8 B11 B6 -101.26(11) . . . . ?
C6 C14 C15 C10 -2.8(2) . . . . ?
C8 C10 C15 C14 5.2(2) . . . . ?
C16 B1 B13 B3 39.64(9) . . . . ?
C2 B1 B13 B3 99.45(11) . . . . ?
B9 B1 B13 B3 137.55(11) . . . . ?
C16 B1 B13 B9 -97.91(11) . . . . ?
C2 B1 B13 B9 -38.10(9) . . . . ?
B3 B1 B13 B9 -137.55(11) . . . . ?
C16 B1 B13 B5 -60.84(13) . . . . ?
C2 B1 B13 B5 -1.03(14) . . . . ?
B9 B1 B13 B5 37.07(10) . . . . ?
B3 B1 B13 B5 -100.48(12) . . . . ?
C16 B1 B13 B10 2.76(13) . . . . ?
C2 B1 B13 B10 62.57(13) . . . . ?
B9 B1 B13 B10 100.67(11) . . . . ?
B3 B1 B13 B10 -36.88(10) . . . . ?
C16 B3 B13 B1 -40.29(9) . . . . ?
B10 B3 B13 B1 -138.81(11) . . . . ?
B8 B3 B13 B1 -100.91(11) . . . . ?
C16 B3 B13 B9 -2.38(13) . . . . ?
B10 B3 B13 B9 -100.89(11) . . . . ?
B1 B3 B13 B9 37.92(10) . . . . ?
B8 B3 B13 B9 -63.00(13) . . . . ?
C16 B3 B13 B5 60.82(13) . . . . ?
B10 B3 B13 B5 -37.70(10) . . . . ?
B1 B3 B13 B5 101.11(11) . . . . ?
B8 B3 B13 B5 0.19(13) . . . . ?
C16 B3 B13 B10 98.52(11) . . . . ?
B1 B3 B13 B10 138.81(11) . . . . ?
B8 B3 B13 B10 37.89(10) . . . . ?
C2 B9 B13 B1 38.57(10) . . . . ?
B5 B9 B13 B1 138.46(11) . . . . ?
B7 B9 B13 B1 100.94(11) . . . . ?
C2 B9 B13 B3 0.37(14) . . . . ?
B1 B9 B13 B3 -38.19(10) . . . . ?
B5 B9 B13 B3 100.26(12) . . . . ?
B7 B9 B13 B3 62.74(13) . . . . ?
C2 B9 B13 B5 -99.89(11) . . . . ?
B1 B9 B13 B5 -138.46(11) . . . . ?
B7 B9 B13 B5 -37.52(10) . . . . ?
C2 B9 B13 B10 -62.83(13) . . . . ?
B1 B9 B13 B10 -101.40(12) . . . . ?
B5 B9 B13 B10 37.05(10) . . . . ?
B7 B9 B13 B10 -0.46(14) . . . . ?
B9 B5 B13 B1 -37.12(10) . . . . ?
B7 B5 B13 B1 0.72(14) . . . . ?
B10 B5 B13 B1 101.52(12) . . . . ?
B6 B5 B13 B1 63.89(13) . . . . ?
B9 B5 B13 B3 -101.07(11) . . . . ?
B7 B5 B13 B3 -63.23(13) . . . . ?
B10 B5 B13 B3 37.56(10) . . . . ?
B6 B5 B13 B3 -0.07(14) . . . . ?
B7 B5 B13 B9 37.84(10) . . . . ?
B10 B5 B13 B9 138.64(11) . . . . ?
B6 B5 B13 B9 101.01(11) . . . . ?
B9 B5 B13 B10 -138.64(11) . . . . ?
B7 B5 B13 B10 -100.79(12) . . . . ?
B6 B5 B13 B10 -37.63(10) . . . . ?
B3 B10 B13 B1 37.24(10) . . . . ?
B8 B10 B13 B1 -0.66(14) . . . . ?
B5 B10 B13 B1 -100.49(11) . . . . ?
B6 B10 B13 B1 -62.88(14) . . . . ?
B8 B10 B13 B3 -37.90(10) . . . . ?
B5 B10 B13 B3 -137.72(11) . . . . ?
B6 B10 B13 B3 -100.12(12) . . . . ?
B3 B10 B13 B9 100.76(11) . . . . ?
B8 B10 B13 B9 62.86(13) . . . . ?
B5 B10 B13 B9 -36.96(10) . . . . ?
B6 B10 B13 B9 0.64(15) . . . . ?
B3 B10 B13 B5 137.72(11) . . . . ?
B8 B10 B13 B5 99.82(12) . . . . ?
B6 B10 B13 B5 37.61(10) . . . . ?

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         0.451
_refine_diff_density_min         -0.322
_refine_diff_density_rms         0.075
####################################################################### 
# 
# 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_ydkr_CCDC3
_database_code_depnum_ccdc_archive 'CCDC 1556484'
_audit_update_record             
;
2017-06-16 deposited with the CCDC.
2017-09-05 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 H28 B10 Si'
_chemical_formula_weight         392.60

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/a

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x-1/2, -y-1/2, z'

_cell_length_a                   10.1119(5)
_cell_length_b                   16.5353(8)
_cell_length_c                   12.9542(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.332(6)
_cell_angle_gamma                90.00
_cell_volume                     2165.95(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    9993
_cell_measurement_theta_min      2.63
_cell_measurement_theta_max      27.86

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.90
_exptl_crystal_size_mid          0.80
_exptl_crystal_size_min          0.50
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.204
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             824
_exptl_absorpt_coefficient_mu    0.113
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.9051
_exptl_absorpt_correction_T_max  0.9456
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku R-AXISIP'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18646
_diffrn_reflns_av_R_equivalents  0.0592
_diffrn_reflns_av_sigmaI/netI    0.0648
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.15
_diffrn_reflns_theta_max         27.48
_reflns_number_total             4926
_reflns_number_gt                4060
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0645P)²+0.9241P] 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         4926
_refine_ls_number_parameters     314
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0580
_refine_ls_R_factor_gt           0.0456
_refine_ls_wR_factor_ref         0.1255
_refine_ls_wR_factor_gt          0.1147
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_restrained_S_all      0.997
_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
Si1 Si 0.77628(4) 0.11471(2) 0.62300(3) 0.01798(13) Uani 1 1 d . . .
C5 C 0.83413(15) 0.06289(9) 0.91965(11) 0.0184(3) Uani 1 1 d . . .
C6 C 1.04453(14) 0.03450(9) 0.83248(11) 0.0189(3) Uani 1 1 d . . .
C7 C 1.23290(15) 0.12974(10) 0.85918(12) 0.0245(3) Uani 1 1 d . . .
H10 H 1.2656 0.1792 0.8864 0.029 Uiso 1 1 calc R . .
C8 C 1.09862(15) 0.10697(9) 0.87773(12) 0.0208(3) Uani 1 1 d . . .
C9 C 0.90630(14) 0.01802(9) 0.84351(11) 0.0181(3) Uani 1 1 d . . .
C1 C 0.76569(14) 0.00088(9) 0.65536(11) 0.0170(3) Uani 1 1 d . . .
C10 C 1.13782(15) -0.01617(10) 0.77993(11) 0.0205(3) Uani 1 1 d . . .
H11 H 1.1093 -0.0671 0.7541 0.025 Uiso 1 1 calc R . .
C11 C 0.64121(16) 0.08839(10) 1.02837(11) 0.0233(3) Uani 1 1 d . . .
H12 H 0.5573 0.0714 1.0529 0.028 Uiso 1 1 calc R . .
C12 C 0.70848(15) 0.03999(10) 0.96141(11) 0.0206(3) Uani 1 1 d . . .
H13 H 0.6709 -0.0104 0.9418 0.025 Uiso 1 1 calc R . .
C19 C 0.83493(14) -0.04011(9) 0.77046(11) 0.0170(3) Uani 1 1 d . . .
C13 C 1.31401(16) 0.08161(11) 0.80327(13) 0.0271(4) Uani 1 1 d . . .
H14 H 1.4021 0.0980 0.7893 0.032 Uiso 1 1 calc R . .
C14 C 0.81668(16) 0.18483(10) 1.03141(12) 0.0225(3) Uani 1 1 d . . .
H15 H 0.8541 0.2338 1.0563 0.027 Uiso 1 1 calc R . .
C15 C 0.69338(16) 0.16310(10) 1.06199(12) 0.0234(3) Uani 1 1 d . . .
H16 H 0.6431 0.1976 1.1053 0.028 Uiso 1 1 calc R . .
C16 C 1.01947(15) 0.15714(9) 0.93704(12) 0.0218(3) Uani 1 1 d . . .
H17 H 1.0537 0.2074 0.9607 0.026 Uiso 1 1 calc R . .
C2 C 0.73102(17) 0.12344(10) 0.48432(12) 0.0256(4) Uani 1 1 d . . .
H18 H 0.7210 0.1806 0.4660 0.038 Uiso 1 1 calc R . .
H19 H 0.6474 0.0951 0.4716 0.038 Uiso 1 1 calc R . .
H20 H 0.8007 0.0992 0.4422 0.038 Uiso 1 1 calc R . .
C17 C 0.89116(15) 0.13518(9) 0.96238(11) 0.0200(3) Uani 1 1 d . . .
B2 B 0.77384(17) -0.06907(11) 0.55747(13) 0.0194(3) Uani 1 1 d . . .
H2 H 0.7897(16) -0.0465(10) 0.4796(13) 0.020(4) Uiso 1 1 d . . .
B3 B 0.90367(17) -0.05803(10) 0.64856(12) 0.0178(3) Uani 1 1 d . . .
H3 H 0.9946(15) -0.0292(10) 0.6270(12) 0.015(4) Uiso 1 1 d . . .
C3 C 0.94435(15) 0.15621(10) 0.64469(13) 0.0247(3) Uani 1 1 d . . .
H21 H 1.0103 0.1176 0.6194 0.037 Uiso 1 1 calc R . .
H22 H 0.9584 0.1655 0.7187 0.037 Uiso 1 1 calc R . .
H23 H 0.9533 0.2075 0.6074 0.037 Uiso 1 1 calc R . .
C18 C 1.26609(15) 0.00666(10) 0.76595(12) 0.0245(3) Uani 1 1 d . . .
H24 H 1.3245 -0.0285 0.7304 0.029 Uiso 1 1 calc R . .
B4 B 0.62491(17) -0.05040(10) 0.62256(13) 0.0189(3) Uani 1 1 d . . .
H4 H 0.5442(17) -0.0156(10) 0.5883(13) 0.022(4) Uiso 1 1 d . . .
C4 C 0.65592(17) 0.17080(10) 0.70383(14) 0.0289(4) Uani 1 1 d . . .
H25 H 0.6730 0.1592 0.7769 0.043 Uiso 1 1 calc R . .
H26 H 0.5659 0.1538 0.6857 0.043 Uiso 1 1 calc R . .
H27 H 0.6654 0.2290 0.6915 0.043 Uiso 1 1 calc R . .
B5 B 0.60369(17) -0.12635(10) 0.71807(13) 0.0198(3) Uani 1 1 d . . .
H5 H 0.5083(18) -0.1454(11) 0.7424(14) 0.030(5) Uiso 1 1 d . . .
B6 B 0.67324(18) -0.15153(11) 0.59537(13) 0.0202(3) Uani 1 1 d . . .
H6 H 0.6190(18) -0.1876(11) 0.5393(14) 0.032(5) Uiso 1 1 d . . .
B7 B 0.73523(17) -0.11828(10) 0.80878(13) 0.0189(3) Uani 1 1 d . . .
H7 H 0.7276(16) -0.1277(10) 0.8918(13) 0.018(4) Uiso 1 1 d . . .
B8 B 0.74205(18) -0.19286(11) 0.71005(13) 0.0204(4) Uani 1 1 d . . .
H8 H 0.7345(18) -0.2565(11) 0.7316(14) 0.029(5) Uiso 1 1 d . . .
B9 B 0.66399(16) -0.02929(11) 0.75270(13) 0.0184(3) Uani 1 1 d . . .
H9 H 0.6109(16) 0.0161(10) 0.7933(12) 0.020(4) Uiso 1 1 d . . .
B10 B 0.88574(18) -0.13672(11) 0.74374(13) 0.0196(3) Uani 1 1 d . . .
H29 H 0.9705(17) -0.1594(11) 0.7850(13) 0.024(5) Uiso 1 1 d . . .
B11 B 0.84934(17) -0.15634(11) 0.61189(13) 0.0202(4) Uani 1 1 d . . .
H28 H 0.9127(18) -0.1961(11) 0.5665(14) 0.029(5) Uiso 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si1 C3 1.8527(16) . ?
Si1 C4 1.8582(16) . ?
Si1 C2 1.8569(16) . ?
Si1 C1 1.9314(15) . ?
C5 C17 1.437(2) . ?
C5 C12 1.435(2) . ?
C5 C9 1.437(2) . ?
C6 C9 1.432(2) . ?
C6 C8 1.440(2) . ?
C6 C10 1.436(2) . ?
C7 C13 1.356(2) . ?
C7 C8 1.431(2) . ?
C8 C16 1.388(2) . ?
C9 C19 1.527(2) . ?
C1 B3 1.704(2) . ?
C1 B9 1.706(2) . ?
C1 B4 1.709(2) . ?
C1 B2 1.719(2) . ?
C1 C19 1.778(2) . ?
C10 C18 1.364(2) . ?
C11 C12 1.365(2) . ?
C11 C15 1.411(2) . ?
C19 B10 1.714(2) . ?
C19 B7 1.714(2) . ?
C19 B9 1.752(2) . ?
C19 B3 1.754(2) . ?
C13 C18 1.415(2) . ?
C14 C15 1.359(2) . ?
C14 C17 1.431(2) . ?
C16 C17 1.389(2) . ?
B2 B4 1.758(2) . ?
B2 B3 1.769(2) . ?
B2 B6 1.772(2) . ?
B2 B11 1.776(2) . ?
B3 B11 1.780(2) . ?
B3 B10 1.802(2) . ?
B4 B9 1.764(2) . ?
B4 B5 1.777(2) . ?
B4 B6 1.778(2) . ?
B5 B9 1.774(2) . ?
B5 B7 1.775(3) . ?
B5 B8 1.783(2) . ?
B5 B6 1.791(2) . ?
B6 B8 1.774(2) . ?
B6 B11 1.794(3) . ?
B7 B10 1.770(2) . ?
B7 B8 1.778(2) . ?
B7 B9 1.791(2) . ?
B8 B10 1.777(3) . ?
B8 B11 1.782(2) . ?
B10 B11 1.775(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
C3 Si1 C4 109.45(8) . . ?
C3 Si1 C2 109.80(7) . . ?
C4 Si1 C2 110.35(8) . . ?
C3 Si1 C1 112.33(7) . . ?
C4 Si1 C1 109.07(7) . . ?
C2 Si1 C1 105.79(7) . . ?
C17 C5 C12 115.38(13) . . ?
C17 C5 C9 119.33(13) . . ?
C12 C5 C9 125.25(14) . . ?
C9 C6 C8 119.09(13) . . ?
C9 C6 C10 125.49(14) . . ?
C8 C6 C10 115.42(13) . . ?
C13 C7 C8 120.86(15) . . ?
C16 C8 C7 119.11(15) . . ?
C16 C8 C6 120.25(14) . . ?
C7 C8 C6 120.61(14) . . ?
C6 C9 C5 118.05(14) . . ?
C6 C9 C19 121.06(13) . . ?
C5 C9 C19 120.69(13) . . ?
B3 C1 B9 111.60(11) . . ?
B3 C1 B4 112.62(12) . . ?
B9 C1 B4 62.21(9) . . ?
B3 C1 B2 62.25(10) . . ?
B9 C1 B2 112.34(11) . . ?
B4 C1 B2 61.70(10) . . ?
B3 C1 C19 60.46(9) . . ?
B9 C1 C19 60.32(9) . . ?
B4 C1 C19 110.05(11) . . ?
B2 C1 C19 109.99(11) . . ?
B3 C1 Si1 119.96(10) . . ?
B9 C1 Si1 118.67(10) . . ?
B4 C1 Si1 118.48(10) . . ?
B2 C1 Si1 119.52(10) . . ?
C19 C1 Si1 122.11(9) . . ?
C18 C10 C6 121.96(15) . . ?
C12 C11 C15 121.51(15) . . ?
C11 C12 C5 122.06(15) . . ?
C9 C19 B10 124.79(12) . . ?
C9 C19 B7 124.86(12) . . ?
B10 C19 B7 62.18(10) . . ?
C9 C19 B9 118.65(12) . . ?
B10 C19 B9 111.44(12) . . ?
B7 C19 B9 62.20(10) . . ?
C9 C19 B3 118.42(11) . . ?
B10 C19 B3 62.62(9) . . ?
B7 C19 B3 111.72(11) . . ?
B9 C19 B3 107.15(11) . . ?
C9 C19 C1 117.52(11) . . ?
B10 C19 C1 107.64(11) . . ?
B7 C19 C1 107.52(11) . . ?
B9 C19 C1 57.82(8) . . ?
B3 C19 C1 57.70(8) . . ?
C7 C13 C18 119.33(15) . . ?
C15 C14 C17 121.17(15) . . ?
C14 C15 C11 118.92(14) . . ?
C17 C16 C8 121.14(15) . . ?
C16 C17 C14 119.57(14) . . ?
C16 C17 C5 120.00(14) . . ?
C14 C17 C5 120.43(14) . . ?
C1 B2 B4 58.87(9) . . ?
C1 B2 B3 58.47(9) . . ?
B4 B2 B3 107.25(12) . . ?
C1 B2 B6 106.46(11) . . ?
B4 B2 B6 60.49(10) . . ?
B3 B2 B6 108.63(12) . . ?
C1 B2 B11 106.03(12) . . ?
B4 B2 B11 108.65(12) . . ?
B3 B2 B11 60.24(10) . . ?
B6 B2 B11 60.74(10) . . ?
C1 B3 C19 61.85(9) . . ?
C1 B3 B2 59.27(9) . . ?
C19 B3 B2 108.75(11) . . ?
C1 B3 B11 106.52(12) . . ?
C19 B3 B11 105.74(11) . . ?
B2 B3 B11 60.07(10) . . ?
C1 B3 B10 106.96(11) . . ?
C19 B3 B10 57.60(9) . . ?
B2 B3 B10 107.73(12) . . ?
B11 B3 B10 59.41(9) . . ?
C10 C18 C13 121.40(15) . . ?
C1 B4 B2 59.43(9) . . ?
C1 B4 B9 58.83(9) . . ?
B2 B4 B9 107.78(12) . . ?
C1 B4 B5 106.35(12) . . ?
B2 B4 B5 108.49(12) . . ?
B9 B4 B5 60.12(10) . . ?
C1 B4 B6 106.64(12) . . ?
B2 B4 B6 60.16(10) . . ?
B9 B4 B6 108.37(12) . . ?
B5 B4 B6 60.50(10) . . ?
B9 B5 B7 60.61(10) . . ?
B9 B5 B4 59.59(9) . . ?
B7 B5 B4 108.35(12) . . ?
B9 B5 B8 107.70(12) . . ?
B7 B5 B8 59.97(10) . . ?
B4 B5 B8 107.30(12) . . ?
B9 B5 B6 107.38(12) . . ?
B7 B5 B6 107.97(12) . . ?
B4 B5 B6 59.78(9) . . ?
B8 B5 B6 59.51(10) . . ?
B2 B6 B8 107.78(12) . . ?
B2 B6 B4 59.35(10) . . ?
B8 B6 B4 107.66(12) . . ?
B2 B6 B5 107.22(12) . . ?
B8 B6 B5 60.02(10) . . ?
B4 B6 B5 59.72(9) . . ?
B2 B6 B11 59.75(10) . . ?
B8 B6 B11 59.92(10) . . ?
B4 B6 B11 106.97(12) . . ?
B5 B6 B11 107.40(12) . . ?
C19 B7 B10 58.90(9) . . ?
C19 B7 B5 107.74(12) . . ?
B10 B7 B5 108.36(12) . . ?
C19 B7 B8 106.81(12) . . ?
B10 B7 B8 60.08(10) . . ?
B5 B7 B8 60.24(10) . . ?
C19 B7 B9 59.92(9) . . ?
B10 B7 B9 107.06(12) . . ?
B5 B7 B9 59.66(10) . . ?
B8 B7 B9 107.17(12) . . ?
B6 B8 B10 108.71(12) . . ?
B6 B8 B7 108.58(12) . . ?
B10 B8 B7 59.74(10) . . ?
B6 B8 B11 60.61(10) . . ?
B10 B8 B11 59.85(10) . . ?
B7 B8 B11 107.73(12) . . ?
B6 B8 B5 60.47(10) . . ?
B10 B8 B5 107.72(12) . . ?
B7 B8 B5 59.78(10) . . ?
B11 B8 B5 108.29(12) . . ?
C1 B9 C19 61.86(9) . . ?
C1 B9 B4 58.96(9) . . ?
C19 B9 B4 108.71(11) . . ?
C1 B9 B5 106.58(11) . . ?
C19 B9 B5 106.16(12) . . ?
B4 B9 B5 60.30(10) . . ?
C1 B9 B7 107.30(11) . . ?
C19 B9 B7 57.88(9) . . ?
B4 B9 B7 108.21(12) . . ?
B5 B9 B7 59.73(10) . . ?
C19 B10 B7 58.93(9) . . ?
C19 B10 B11 107.69(12) . . ?
B7 B10 B11 108.38(12) . . ?
C19 B10 B8 106.91(12) . . ?
B7 B10 B8 60.18(10) . . ?
B11 B10 B8 60.22(10) . . ?
C19 B10 B3 59.79(9) . . ?
B7 B10 B3 106.94(12) . . ?
B11 B10 B3 59.65(9) . . ?
B8 B10 B3 107.13(12) . . ?
B2 B11 B10 108.64(12) . . ?
B2 B11 B8 107.24(12) . . ?
B10 B11 B8 59.93(10) . . ?
B2 B11 B3 59.68(10) . . ?
B10 B11 B3 60.94(10) . . ?
B8 B11 B3 107.90(12) . . ?
B2 B11 B6 59.51(10) . . ?
B10 B11 B6 107.87(12) . . ?
B8 B11 B6 59.48(10) . . ?
B3 B11 B6 107.22(12) . . ?

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
C13 C7 C8 C16 178.76(15) . . . . ?
C13 C7 C8 C6 -3.5(2) . . . . ?
C9 C6 C8 C16 4.3(2) . . . . ?
C10 C6 C8 C16 -175.06(14) . . . . ?
C9 C6 C8 C7 -173.40(14) . . . . ?
C10 C6 C8 C7 7.2(2) . . . . ?
C8 C6 C9 C5 -15.2(2) . . . . ?
C10 C6 C9 C5 164.16(14) . . . . ?
C8 C6 C9 C19 159.65(13) . . . . ?
C10 C6 C9 C19 -21.0(2) . . . . ?
C17 C5 C9 C6 15.9(2) . . . . ?
C12 C5 C9 C6 -161.50(14) . . . . ?
C17 C5 C9 C19 -158.93(13) . . . . ?
C12 C5 C9 C19 23.7(2) . . . . ?
C3 Si1 C1 B3 -25.94(13) . . . . ?
C4 Si1 C1 B3 -147.47(11) . . . . ?
C2 Si1 C1 B3 93.84(12) . . . . ?
C3 Si1 C1 B9 117.14(11) . . . . ?
C4 Si1 C1 B9 -4.39(13) . . . . ?
C2 Si1 C1 B9 -123.09(11) . . . . ?
C3 Si1 C1 B4 -170.80(10) . . . . ?
C4 Si1 C1 B4 67.68(12) . . . . ?
C2 Si1 C1 B4 -51.02(12) . . . . ?
C3 Si1 C1 B2 -99.01(12) . . . . ?
C4 Si1 C1 B2 139.46(11) . . . . ?
C2 Si1 C1 B2 20.77(13) . . . . ?
C3 Si1 C1 C19 45.99(12) . . . . ?
C4 Si1 C1 C19 -75.54(12) . . . . ?
C2 Si1 C1 C19 165.77(10) . . . . ?
C9 C6 C10 C18 174.94(14) . . . . ?
C8 C6 C10 C18 -5.7(2) . . . . ?
C15 C11 C12 C5 -1.4(2) . . . . ?
C17 C5 C12 C11 7.1(2) . . . . ?
C9 C5 C12 C11 -175.39(14) . . . . ?
C6 C9 C19 B10 52.2(2) . . . . ?
C5 C9 C19 B10 -133.12(14) . . . . ?
C6 C9 C19 B7 130.16(15) . . . . ?
C5 C9 C19 B7 -55.2(2) . . . . ?
C6 C9 C19 B9 -155.33(13) . . . . ?
C5 C9 C19 B9 19.34(19) . . . . ?
C6 C9 C19 B3 -22.7(2) . . . . ?
C5 C9 C19 B3 152.00(13) . . . . ?
C6 C9 C19 C1 -88.89(16) . . . . ?
C5 C9 C19 C1 85.78(16) . . . . ?
B3 C1 C19 C9 107.78(13) . . . . ?
B9 C1 C19 C9 -108.11(13) . . . . ?
B4 C1 C19 C9 -146.92(12) . . . . ?
B2 C1 C19 C9 146.92(12) . . . . ?
Si1 C1 C19 C9 -1.00(16) . . . . ?
B3 C1 C19 B10 -39.45(11) . . . . ?
B9 C1 C19 B10 104.65(12) . . . . ?
B4 C1 C19 B10 65.84(13) . . . . ?
B2 C1 C19 B10 -0.31(14) . . . . ?
Si1 C1 C19 B10 -148.23(10) . . . . ?
B3 C1 C19 B7 -105.04(12) . . . . ?
B9 C1 C19 B7 39.06(11) . . . . ?
B4 C1 C19 B7 0.25(14) . . . . ?
B2 C1 C19 B7 -65.90(13) . . . . ?
Si1 C1 C19 B7 146.17(10) . . . . ?
B3 C1 C19 B9 -144.11(12) . . . . ?
B4 C1 C19 B9 -38.81(11) . . . . ?
B2 C1 C19 B9 -104.97(12) . . . . ?
Si1 C1 C19 B9 107.11(12) . . . . ?
B9 C1 C19 B3 144.11(12) . . . . ?
B4 C1 C19 B3 105.30(12) . . . . ?
B2 C1 C19 B3 39.14(11) . . . . ?
Si1 C1 C19 B3 -108.78(12) . . . . ?
C8 C7 C13 C18 -2.2(2) . . . . ?
C17 C14 C15 C11 2.9(2) . . . . ?
C12 C11 C15 C14 -3.8(2) . . . . ?
C7 C8 C16 C17 -176.00(14) . . . . ?
C6 C8 C16 C17 6.2(2) . . . . ?
C8 C16 C17 C14 174.28(14) . . . . ?
C8 C16 C17 C5 -5.5(2) . . . . ?
C15 C14 C17 C16 -176.65(15) . . . . ?
C15 C14 C17 C5 3.1(2) . . . . ?
C12 C5 C17 C16 171.91(14) . . . . ?
C9 C5 C17 C16 -5.8(2) . . . . ?
C12 C5 C17 C14 -7.9(2) . . . . ?
C9 C5 C17 C14 174.46(13) . . . . ?
B3 C1 B2 B4 140.97(12) . . . . ?
B9 C1 B2 B4 37.46(12) . . . . ?
C19 C1 B2 B4 102.62(12) . . . . ?
Si1 C1 B2 B4 -108.51(12) . . . . ?
B9 C1 B2 B3 -103.51(13) . . . . ?
B4 C1 B2 B3 -140.97(12) . . . . ?
C19 C1 B2 B3 -38.35(10) . . . . ?
Si1 C1 B2 B3 110.52(12) . . . . ?
B3 C1 B2 B6 102.10(13) . . . . ?
B9 C1 B2 B6 -1.41(16) . . . . ?
B4 C1 B2 B6 -38.87(11) . . . . ?
C19 C1 B2 B6 63.75(14) . . . . ?
Si1 C1 B2 B6 -147.38(10) . . . . ?
B3 C1 B2 B11 38.55(11) . . . . ?
B9 C1 B2 B11 -64.96(14) . . . . ?
B4 C1 B2 B11 -102.42(13) . . . . ?
C19 C1 B2 B11 0.20(14) . . . . ?
Si1 C1 B2 B11 149.07(10) . . . . ?
B9 C1 B3 C19 -33.22(11) . . . . ?
B4 C1 B3 C19 -100.99(12) . . . . ?
B2 C1 B3 C19 -137.91(11) . . . . ?
Si1 C1 B3 C19 112.24(11) . . . . ?
B9 C1 B3 B2 104.69(13) . . . . ?
B4 C1 B3 B2 36.92(11) . . . . ?
C19 C1 B3 B2 137.91(11) . . . . ?
Si1 C1 B3 B2 -109.84(12) . . . . ?
B9 C1 B3 B11 66.11(14) . . . . ?
B4 C1 B3 B11 -1.66(15) . . . . ?
B2 C1 B3 B11 -38.58(11) . . . . ?
C19 C1 B3 B11 99.33(12) . . . . ?
Si1 C1 B3 B11 -148.43(10) . . . . ?
B9 C1 B3 B10 3.79(15) . . . . ?
B4 C1 B3 B10 -63.98(14) . . . . ?
B2 C1 B3 B10 -100.90(12) . . . . ?
C19 C1 B3 B10 37.01(10) . . . . ?
Si1 C1 B3 B10 149.25(10) . . . . ?
C9 C19 B3 C1 -106.23(13) . . . . ?
B10 C19 B3 C1 137.00(12) . . . . ?
B7 C19 B3 C1 97.55(12) . . . . ?
B9 C19 B3 C1 31.29(11) . . . . ?
C9 C19 B3 B2 -143.71(13) . . . . ?
B10 C19 B3 B2 99.53(13) . . . . ?
B7 C19 B3 B2 60.08(15) . . . . ?
B9 C19 B3 B2 -6.19(15) . . . . ?
C1 C19 B3 B2 -37.48(10) . . . . ?
C9 C19 B3 B11 153.15(12) . . . . ?
B10 C19 B3 B11 36.38(11) . . . . ?
B7 C19 B3 B11 -3.07(15) . . . . ?
B9 C19 B3 B11 -69.34(14) . . . . ?
C1 C19 B3 B11 -100.62(12) . . . . ?
C9 C19 B3 B10 116.77(14) . . . . ?
B7 C19 B3 B10 -39.45(12) . . . . ?
B9 C19 B3 B10 -105.72(12) . . . . ?
C1 C19 B3 B10 -137.00(12) . . . . ?
B4 B2 B3 C1 -34.36(11) . . . . ?
B6 B2 B3 C1 -98.28(12) . . . . ?
B11 B2 B3 C1 -136.38(12) . . . . ?
C1 B2 B3 C19 38.61(10) . . . . ?
B4 B2 B3 C19 4.26(16) . . . . ?
B6 B2 B3 C19 -59.67(15) . . . . ?
B11 B2 B3 C19 -97.76(12) . . . . ?
C1 B2 B3 B11 136.38(12) . . . . ?
B4 B2 B3 B11 102.02(13) . . . . ?
B6 B2 B3 B11 38.10(11) . . . . ?
C1 B2 B3 B10 99.56(12) . . . . ?
B4 B2 B3 B10 65.20(14) . . . . ?
B6 B2 B3 B10 1.28(15) . . . . ?
B11 B2 B3 B10 -36.82(11) . . . . ?
C6 C10 C18 C13 0.4(2) . . . . ?
C7 C13 C18 C10 3.8(2) . . . . ?
B3 C1 B4 B2 -37.14(11) . . . . ?
B9 C1 B4 B2 -140.51(12) . . . . ?
C19 C1 B4 B2 -102.52(12) . . . . ?
Si1 C1 B4 B2 110.16(11) . . . . ?
B3 C1 B4 B9 103.37(13) . . . . ?
B2 C1 B4 B9 140.51(12) . . . . ?
C19 C1 B4 B9 37.99(11) . . . . ?
Si1 C1 B4 B9 -109.33(11) . . . . ?
B3 C1 B4 B5 65.02(14) . . . . ?
B9 C1 B4 B5 -38.35(11) . . . . ?
B2 C1 B4 B5 102.16(13) . . . . ?
C19 C1 B4 B5 -0.37(14) . . . . ?
Si1 C1 B4 B5 -147.68(10) . . . . ?
B3 C1 B4 B6 1.63(15) . . . . ?
B9 C1 B4 B6 -101.74(13) . . . . ?
B2 C1 B4 B6 38.76(11) . . . . ?
C19 C1 B4 B6 -63.76(13) . . . . ?
Si1 C1 B4 B6 148.92(10) . . . . ?
B3 B2 B4 C1 34.20(11) . . . . ?
B6 B2 B4 C1 136.24(12) . . . . ?
B11 B2 B4 C1 97.86(13) . . . . ?
C1 B2 B4 B9 -34.85(11) . . . . ?
B3 B2 B4 B9 -0.66(16) . . . . ?
B6 B2 B4 B9 101.39(13) . . . . ?
B11 B2 B4 B9 63.00(15) . . . . ?
C1 B2 B4 B5 -98.46(12) . . . . ?
B3 B2 B4 B5 -64.27(15) . . . . ?
B6 B2 B4 B5 37.78(11) . . . . ?
B11 B2 B4 B5 -0.61(16) . . . . ?
C1 B2 B4 B6 -136.24(12) . . . . ?
B3 B2 B4 B6 -102.05(13) . . . . ?
B11 B2 B4 B6 -38.39(12) . . . . ?
C1 B4 B5 B9 37.76(11) . . . . ?
B2 B4 B5 B9 100.32(13) . . . . ?
B6 B4 B5 B9 137.95(12) . . . . ?
C1 B4 B5 B7 0.34(15) . . . . ?
B2 B4 B5 B7 62.91(15) . . . . ?
B9 B4 B5 B7 -37.42(11) . . . . ?
B6 B4 B5 B7 100.54(13) . . . . ?
C1 B4 B5 B8 -62.99(14) . . . . ?
B2 B4 B5 B8 -0.42(16) . . . . ?
B9 B4 B5 B8 -100.75(13) . . . . ?
B6 B4 B5 B8 37.21(11) . . . . ?
C1 B4 B5 B6 -100.19(12) . . . . ?
B2 B4 B5 B6 -37.63(12) . . . . ?
B9 B4 B5 B6 -137.95(12) . . . . ?
C1 B2 B6 B8 -62.27(15) . . . . ?
B4 B2 B6 B8 -100.38(13) . . . . ?
B3 B2 B6 B8 -0.67(16) . . . . ?
B11 B2 B6 B8 37.21(11) . . . . ?
C1 B2 B6 B4 38.12(11) . . . . ?
B3 B2 B6 B4 99.71(13) . . . . ?
B11 B2 B6 B4 137.59(12) . . . . ?
C1 B2 B6 B5 0.99(16) . . . . ?
B4 B2 B6 B5 -37.12(12) . . . . ?
B3 B2 B6 B5 62.59(15) . . . . ?
B11 B2 B6 B5 100.47(13) . . . . ?
C1 B2 B6 B11 -99.47(12) . . . . ?
B4 B2 B6 B11 -137.59(12) . . . . ?
B3 B2 B6 B11 -37.88(11) . . . . ?
C1 B4 B6 B2 -38.43(11) . . . . ?
B9 B4 B6 B2 -100.40(13) . . . . ?
B5 B4 B6 B2 -138.12(13) . . . . ?
C1 B4 B6 B8 62.17(14) . . . . ?
B2 B4 B6 B8 100.60(13) . . . . ?
B9 B4 B6 B8 0.20(16) . . . . ?
B5 B4 B6 B8 -37.52(11) . . . . ?
C1 B4 B6 B5 99.69(12) . . . . ?
B2 B4 B6 B5 138.12(13) . . . . ?
B9 B4 B6 B5 37.72(11) . . . . ?
C1 B4 B6 B11 -0.90(15) . . . . ?
B2 B4 B6 B11 37.53(11) . . . . ?
B9 B4 B6 B11 -62.87(14) . . . . ?
B5 B4 B6 B11 -100.59(13) . . . . ?
B9 B5 B6 B2 -0.28(16) . . . . ?
B7 B5 B6 B2 -64.24(15) . . . . ?
B4 B5 B6 B2 36.96(12) . . . . ?
B8 B5 B6 B2 -100.98(13) . . . . ?
B9 B5 B6 B8 100.69(13) . . . . ?
B7 B5 B6 B8 36.74(11) . . . . ?
B4 B5 B6 B8 137.93(13) . . . . ?
B9 B5 B6 B4 -37.24(11) . . . . ?
B7 B5 B6 B4 -101.20(13) . . . . ?
B8 B5 B6 B4 -137.93(13) . . . . ?
B9 B5 B6 B11 62.61(15) . . . . ?
B7 B5 B6 B11 -1.34(16) . . . . ?
B4 B5 B6 B11 99.86(13) . . . . ?
B8 B5 B6 B11 -38.08(11) . . . . ?
C9 C19 B7 B10 -114.75(15) . . . . ?
B9 C19 B7 B10 138.20(12) . . . . ?
B3 C19 B7 B10 39.64(11) . . . . ?
C1 C19 B7 B10 101.12(11) . . . . ?
C9 C19 B7 B5 144.10(13) . . . . ?
B10 C19 B7 B5 -101.15(13) . . . . ?
B9 C19 B7 B5 37.05(11) . . . . ?
B3 C19 B7 B5 -61.51(15) . . . . ?
C1 C19 B7 B5 -0.03(14) . . . . ?
C9 C19 B7 B8 -152.49(13) . . . . ?
B10 C19 B7 B8 -37.74(11) . . . . ?
B9 C19 B7 B8 100.45(13) . . . . ?
B3 C19 B7 B8 1.90(16) . . . . ?
C1 C19 B7 B8 63.37(14) . . . . ?
C9 C19 B7 B9 107.05(15) . . . . ?
B10 C19 B7 B9 -138.20(12) . . . . ?
B3 C19 B7 B9 -98.56(12) . . . . ?
C1 C19 B7 B9 -37.08(10) . . . . ?
B9 B5 B7 C19 -37.16(11) . . . . ?
B4 B5 B7 C19 -0.19(16) . . . . ?
B8 B5 B7 C19 99.61(12) . . . . ?
B6 B5 B7 C19 63.07(15) . . . . ?
B9 B5 B7 B10 -99.44(13) . . . . ?
B4 B5 B7 B10 -62.46(15) . . . . ?
B8 B5 B7 B10 37.34(11) . . . . ?
B6 B5 B7 B10 0.80(16) . . . . ?
B9 B5 B7 B8 -136.77(12) . . . . ?
B4 B5 B7 B8 -99.80(13) . . . . ?
B6 B5 B7 B8 -36.54(11) . . . . ?
B4 B5 B7 B9 36.97(11) . . . . ?
B8 B5 B7 B9 136.77(12) . . . . ?
B6 B5 B7 B9 100.23(13) . . . . ?
B2 B6 B8 B10 -0.21(16) . . . . ?
B4 B6 B8 B10 -62.84(15) . . . . ?
B5 B6 B8 B10 -100.22(13) . . . . ?
B11 B6 B8 B10 36.92(11) . . . . ?
B2 B6 B8 B7 63.20(15) . . . . ?
B4 B6 B8 B7 0.58(16) . . . . ?
B5 B6 B8 B7 -36.81(11) . . . . ?
B11 B6 B8 B7 100.34(13) . . . . ?
B2 B6 B8 B11 -37.13(11) . . . . ?
B4 B6 B8 B11 -99.76(13) . . . . ?
B5 B6 B8 B11 -137.15(12) . . . . ?
B2 B6 B8 B5 100.01(13) . . . . ?
B4 B6 B8 B5 37.39(11) . . . . ?
B11 B6 B8 B5 137.15(12) . . . . ?
C19 B7 B8 B6 -64.07(15) . . . . ?
B10 B7 B8 B6 -101.28(13) . . . . ?
B5 B7 B8 B6 37.10(11) . . . . ?
B9 B7 B8 B6 -1.12(16) . . . . ?
C19 B7 B8 B10 37.21(11) . . . . ?
B5 B7 B8 B10 138.39(12) . . . . ?
B9 B7 B8 B10 100.17(12) . . . . ?
C19 B7 B8 B11 0.07(16) . . . . ?
B10 B7 B8 B11 -37.14(11) . . . . ?
B5 B7 B8 B11 101.25(13) . . . . ?
B9 B7 B8 B11 63.02(15) . . . . ?
C19 B7 B8 B5 -101.18(13) . . . . ?
B10 B7 B8 B5 -138.39(12) . . . . ?
B9 B7 B8 B5 -38.22(11) . . . . ?
B9 B5 B8 B6 -100.13(13) . . . . ?
B7 B5 B8 B6 -138.91(12) . . . . ?
B4 B5 B8 B6 -37.33(11) . . . . ?
B9 B5 B8 B10 1.76(15) . . . . ?
B7 B5 B8 B10 -37.03(11) . . . . ?
B4 B5 B8 B10 64.56(15) . . . . ?
B6 B5 B8 B10 101.89(13) . . . . ?
B9 B5 B8 B7 38.79(11) . . . . ?
B4 B5 B8 B7 101.58(13) . . . . ?
B6 B5 B8 B7 138.91(12) . . . . ?
B9 B5 B8 B11 -61.51(15) . . . . ?
B7 B5 B8 B11 -100.30(13) . . . . ?
B4 B5 B8 B11 1.29(16) . . . . ?
B6 B5 B8 B11 38.62(11) . . . . ?
B3 C1 B9 C19 33.27(11) . . . . ?
B4 C1 B9 C19 138.28(12) . . . . ?
B2 C1 B9 C19 101.02(12) . . . . ?
Si1 C1 B9 C19 -112.69(11) . . . . ?
B3 C1 B9 B4 -105.01(13) . . . . ?
B2 C1 B9 B4 -37.26(12) . . . . ?
C19 C1 B9 B4 -138.28(12) . . . . ?
Si1 C1 B9 B4 109.04(12) . . . . ?
B3 C1 B9 B5 -66.52(15) . . . . ?
B4 C1 B9 B5 38.49(11) . . . . ?
B2 C1 B9 B5 1.23(16) . . . . ?
C19 C1 B9 B5 -99.79(12) . . . . ?
Si1 C1 B9 B5 147.53(10) . . . . ?
B3 C1 B9 B7 -3.79(16) . . . . ?
B4 C1 B9 B7 101.22(13) . . . . ?
B2 C1 B9 B7 63.96(15) . . . . ?
C19 C1 B9 B7 -37.06(10) . . . . ?
Si1 C1 B9 B7 -149.75(10) . . . . ?
C9 C19 B9 C1 106.16(13) . . . . ?
B10 C19 B9 C1 -97.91(12) . . . . ?
B7 C19 B9 C1 -137.21(12) . . . . ?
B3 C19 B9 C1 -31.24(11) . . . . ?
C9 C19 B9 B4 143.17(13) . . . . ?
B10 C19 B9 B4 -60.90(15) . . . . ?
B7 C19 B9 B4 -100.19(13) . . . . ?
B3 C19 B9 B4 5.77(15) . . . . ?
C1 C19 B9 B4 37.01(10) . . . . ?
C9 C19 B9 B5 -153.35(12) . . . . ?
B10 C19 B9 B5 2.58(15) . . . . ?
B7 C19 B9 B5 -36.72(11) . . . . ?
B3 C19 B9 B5 69.25(13) . . . . ?
C1 C19 B9 B5 100.49(12) . . . . ?
C9 C19 B9 B7 -116.63(14) . . . . ?
B10 C19 B9 B7 39.29(11) . . . . ?
B3 C19 B9 B7 105.97(12) . . . . ?
C1 C19 B9 B7 137.21(12) . . . . ?
B2 B4 B9 C1 35.10(11) . . . . ?
B5 B4 B9 C1 136.63(12) . . . . ?
B6 B4 B9 C1 98.74(13) . . . . ?
C1 B4 B9 C19 -38.29(11) . . . . ?
B2 B4 B9 C19 -3.18(16) . . . . ?
B5 B4 B9 C19 98.34(13) . . . . ?
B6 B4 B9 C19 60.45(15) . . . . ?
C1 B4 B9 B5 -136.63(12) . . . . ?
B2 B4 B9 B5 -101.53(13) . . . . ?
B6 B4 B9 B5 -37.89(11) . . . . ?
C1 B4 B9 B7 -99.63(12) . . . . ?
B2 B4 B9 B7 -64.53(15) . . . . ?
B5 B4 B9 B7 37.00(11) . . . . ?
B6 B4 B9 B7 -0.90(15) . . . . ?
B7 B5 B9 C1 100.68(12) . . . . ?
B4 B5 B9 C1 -37.87(11) . . . . ?
B8 B5 B9 C1 62.19(14) . . . . ?
B6 B5 B9 C1 -0.54(16) . . . . ?
B7 B5 B9 C19 35.90(10) . . . . ?
B4 B5 B9 C19 -102.66(12) . . . . ?
B8 B5 B9 C19 -2.60(15) . . . . ?
B6 B5 B9 C19 -65.33(14) . . . . ?
B7 B5 B9 B4 138.55(12) . . . . ?
B8 B5 B9 B4 100.06(13) . . . . ?
B6 B5 B9 B4 37.33(11) . . . . ?
B4 B5 B9 B7 -138.55(12) . . . . ?
B8 B5 B9 B7 -38.50(11) . . . . ?
B6 B5 B9 B7 -101.23(13) . . . . ?
C19 B7 B9 C1 38.86(11) . . . . ?
B10 B7 B9 C1 2.21(15) . . . . ?
B5 B7 B9 C1 -99.46(12) . . . . ?
B8 B7 B9 C1 -60.97(14) . . . . ?
B10 B7 B9 C19 -36.66(11) . . . . ?
B5 B7 B9 C19 -138.32(12) . . . . ?
B8 B7 B9 C19 -99.84(12) . . . . ?
C19 B7 B9 B4 101.08(12) . . . . ?
B10 B7 B9 B4 64.42(14) . . . . ?
B5 B7 B9 B4 -37.25(11) . . . . ?
B8 B7 B9 B4 1.24(15) . . . . ?
C19 B7 B9 B5 138.32(12) . . . . ?
B10 B7 B9 B5 101.67(13) . . . . ?
B8 B7 B9 B5 38.49(11) . . . . ?
C9 C19 B10 B7 114.86(15) . . . . ?
B9 C19 B10 B7 -39.30(11) . . . . ?
B3 C19 B10 B7 -138.13(12) . . . . ?
C1 C19 B10 B7 -100.91(12) . . . . ?
C9 C19 B10 B11 -143.94(13) . . . . ?
B7 C19 B10 B11 101.20(13) . . . . ?
B9 C19 B10 B11 61.90(14) . . . . ?
B3 C19 B10 B11 -36.92(11) . . . . ?
C1 C19 B10 B11 0.29(14) . . . . ?
C9 C19 B10 B8 152.67(13) . . . . ?
B7 C19 B10 B8 37.81(11) . . . . ?
B9 C19 B10 B8 -1.49(15) . . . . ?
B3 C19 B10 B8 -100.32(12) . . . . ?
C1 C19 B10 B8 -63.10(13) . . . . ?
C9 C19 B10 B3 -107.02(15) . . . . ?
B7 C19 B10 B3 138.13(12) . . . . ?
B9 C19 B10 B3 98.82(12) . . . . ?
C1 C19 B10 B3 37.22(10) . . . . ?
B5 B7 B10 C19 100.06(13) . . . . ?
B8 B7 B10 C19 137.46(12) . . . . ?
B9 B7 B10 C19 37.11(11) . . . . ?
C19 B7 B10 B11 -100.00(13) . . . . ?
B5 B7 B10 B11 0.06(16) . . . . ?
B8 B7 B10 B11 37.47(11) . . . . ?
B9 B7 B10 B11 -62.89(15) . . . . ?
C19 B7 B10 B8 -137.46(12) . . . . ?
B5 B7 B10 B8 -37.41(11) . . . . ?
B9 B7 B10 B8 -100.35(13) . . . . ?
C19 B7 B10 B3 -37.08(11) . . . . ?
B5 B7 B10 B3 62.97(15) . . . . ?
B8 B7 B10 B3 100.38(13) . . . . ?
B9 B7 B10 B3 0.03(15) . . . . ?
B6 B8 B10 C19 63.81(14) . . . . ?
B7 B8 B10 C19 -37.24(11) . . . . ?
B11 B8 B10 C19 101.07(12) . . . . ?
B5 B8 B10 C19 -0.20(15) . . . . ?
B6 B8 B10 B7 101.06(13) . . . . ?
B11 B8 B10 B7 138.31(12) . . . . ?
B5 B8 B10 B7 37.05(11) . . . . ?
B6 B8 B10 B11 -37.25(11) . . . . ?
B7 B8 B10 B11 -138.31(12) . . . . ?
B5 B8 B10 B11 -101.27(13) . . . . ?
B6 B8 B10 B3 0.99(15) . . . . ?
B7 B8 B10 B3 -100.07(12) . . . . ?
B11 B8 B10 B3 38.24(11) . . . . ?
B5 B8 B10 B3 -63.02(14) . . . . ?
C1 B3 B10 C19 -38.95(11) . . . . ?
B2 B3 B10 C19 -101.35(12) . . . . ?
B11 B3 B10 C19 -138.45(12) . . . . ?
C1 B3 B10 B7 -2.25(15) . . . . ?
C19 B3 B10 B7 36.70(11) . . . . ?
B2 B3 B10 B7 -64.64(14) . . . . ?
B11 B3 B10 B7 -101.75(13) . . . . ?
C1 B3 B10 B11 99.50(12) . . . . ?
C19 B3 B10 B11 138.45(12) . . . . ?
B2 B3 B10 B11 37.11(11) . . . . ?
C1 B3 B10 B8 61.00(14) . . . . ?
C19 B3 B10 B8 99.95(12) . . . . ?
B2 B3 B10 B8 -1.39(15) . . . . ?
B11 B3 B10 B8 -38.50(11) . . . . ?
C1 B2 B11 B10 -0.01(15) . . . . ?
B4 B2 B11 B10 -61.93(15) . . . . ?
B3 B2 B11 B10 37.71(11) . . . . ?
B6 B2 B11 B10 -100.21(13) . . . . ?
C1 B2 B11 B8 63.31(14) . . . . ?
B4 B2 B11 B8 1.39(16) . . . . ?
B3 B2 B11 B8 101.03(13) . . . . ?
B6 B2 B11 B8 -36.88(11) . . . . ?
C1 B2 B11 B3 -37.72(10) . . . . ?
B4 B2 B11 B3 -99.64(13) . . . . ?
B6 B2 B11 B3 -137.92(12) . . . . ?
C1 B2 B11 B6 100.19(12) . . . . ?
B4 B2 B11 B6 38.28(11) . . . . ?
B3 B2 B11 B6 137.92(12) . . . . ?
C19 B10 B11 B2 -0.18(16) . . . . ?
B7 B10 B11 B2 62.12(15) . . . . ?
B8 B10 B11 B2 99.57(13) . . . . ?
B3 B10 B11 B2 -37.16(11) . . . . ?
C19 B10 B11 B8 -99.75(13) . . . . ?
B7 B10 B11 B8 -37.45(11) . . . . ?
B3 B10 B11 B8 -136.73(12) . . . . ?
C19 B10 B11 B3 36.98(11) . . . . ?
B7 B10 B11 B3 99.28(13) . . . . ?
B8 B10 B11 B3 136.73(12) . . . . ?
C19 B10 B11 B6 -63.19(15) . . . . ?
B7 B10 B11 B6 -0.89(16) . . . . ?
B8 B10 B11 B6 36.55(11) . . . . ?
B3 B10 B11 B6 -100.17(13) . . . . ?
B6 B8 B11 B2 36.90(11) . . . . ?
B10 B8 B11 B2 -101.95(13) . . . . ?
B7 B8 B11 B2 -64.86(15) . . . . ?
B5 B8 B11 B2 -1.65(16) . . . . ?
B6 B8 B11 B10 138.85(13) . . . . ?
B7 B8 B11 B10 37.09(11) . . . . ?
B5 B8 B11 B10 100.30(13) . . . . ?
B6 B8 B11 B3 99.82(13) . . . . ?
B10 B8 B11 B3 -39.02(12) . . . . ?
B7 B8 B11 B3 -1.93(16) . . . . ?
B5 B8 B11 B3 61.27(15) . . . . ?
B10 B8 B11 B6 -138.85(13) . . . . ?
B7 B8 B11 B6 -101.76(13) . . . . ?
B5 B8 B11 B6 -38.55(12) . . . . ?
C1 B3 B11 B2 38.21(10) . . . . ?
C19 B3 B11 B2 102.89(12) . . . . ?
B10 B3 B11 B2 138.46(12) . . . . ?
C1 B3 B11 B10 -100.25(12) . . . . ?
C19 B3 B11 B10 -35.58(11) . . . . ?
B2 B3 B11 B10 -138.46(12) . . . . ?
C1 B3 B11 B8 -61.69(14) . . . . ?
C19 B3 B11 B8 2.99(15) . . . . ?
B2 B3 B11 B8 -99.90(13) . . . . ?
B10 B3 B11 B8 38.56(11) . . . . ?
C1 B3 B11 B6 1.01(15) . . . . ?
C19 B3 B11 B6 65.69(14) . . . . ?
B2 B3 B11 B6 -37.20(11) . . . . ?
B10 B3 B11 B6 101.26(12) . . . . ?
B8 B6 B11 B2 -138.28(12) . . . . ?
B4 B6 B11 B2 -37.34(11) . . . . ?
B5 B6 B11 B2 -100.16(13) . . . . ?
B2 B6 B11 B10 101.53(13) . . . . ?
B8 B6 B11 B10 -36.75(11) . . . . ?
B4 B6 B11 B10 64.19(15) . . . . ?
B5 B6 B11 B10 1.37(16) . . . . ?
B2 B6 B11 B8 138.28(12) . . . . ?
B4 B6 B11 B8 100.94(13) . . . . ?
B5 B6 B11 B8 38.13(11) . . . . ?
B2 B6 B11 B3 37.28(11) . . . . ?
B8 B6 B11 B3 -101.01(12) . . . . ?
B4 B6 B11 B3 -0.07(15) . . . . ?
B5 B6 B11 B3 -62.88(15) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         0.630
_refine_diff_density_min         -0.499
_refine_diff_density_rms         0.059
