# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_s
_database_code_depnum_ccdc_archive 'CCDC 1917767'
_audit_update_record             
;
2019-05-22 deposited with the CCDC.	2019-09-19 downloaded from the CCDC.
;
_audit_creation_date             2019-05-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H38 B10 N2'
_chemical_formula_sum            'C30 H38 B10 N2'
_chemical_formula_weight         534.72
_chemical_absolute_configuration ad
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      tetragonal
_space_group_IT_number           75
_space_group_name_H-M_alt        'P 4'
_space_group_name_Hall           'P 4'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'

_cell_length_a                   9.9221(5)
_cell_length_b                   9.9221(5)
_cell_length_c                   16.2619(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1600.95(18)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9372
_cell_measurement_temperature    153
_cell_measurement_theta_max      68.276
_cell_measurement_theta_min      4.456
_shelx_estimated_absorpt_T_max   0.881
_shelx_estimated_absorpt_T_min   0.812
_exptl_absorpt_coefficient_mu    0.435
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.6691
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0954 before and 0.0613 after correction. The Ratio of minimum to maximum transmission is 0.8885. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic light colourless'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.109
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             564
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0327
_diffrn_reflns_av_unetI/netI     0.0123
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            46721
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.271
_diffrn_reflns_theta_min         4.456
_diffrn_ambient_temperature      153.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.929
_reflns_Friedel_fraction_full    0.991
_reflns_Friedel_fraction_max     0.990
_reflns_number_gt                2900
_reflns_number_total             2909
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         1.594
_refine_diff_density_min         -0.288
_refine_diff_density_rms         0.071
_refine_ls_abs_structure_details 
;
 Flack x determined using 1383 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.00(11)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.143
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     192
_refine_ls_number_reflns         2909
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0668
_refine_ls_R_factor_gt           0.0667
_refine_ls_restrained_S_all      1.143
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1395P)²+0.8947P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2079
_refine_ls_wR_factor_ref         0.2080
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C001(H001), C002(H002), C004(H004), C007(H007), C009(H009), C00A(H00A),
 C00B(H00B), C00D(H00D)
2.b Idealised Me refined as rotating group:
 C00F(H00C,H00E,H00F), C00L(H00L,H00M,H00N)
2.c Boron cage BH refined with riding coordinates:
 B00G(H00G), B00H(H00H), B00I(H00I), B00J(H00J), B00K(H00K)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C001 C 0.0545(4) 0.7379(5) 0.5206(3) 0.0277(9) Uani 1 1 d . . . . .
H001 H -0.0049 0.7903 0.4879 0.033 Uiso 1 1 calc R . . . .
C002 C 0.2268(4) 0.5908(4) 0.6194(3) 0.0258(9) Uani 1 1 d . . . . .
H002 H 0.2881 0.5425 0.6533 0.031 Uiso 1 1 calc R . . . .
C003 C 0.1805(4) 0.7022(4) 0.4891(3) 0.0236(9) Uani 1 1 d . . . . .
C004 C 0.1583(4) 0.7830(5) 0.2623(3) 0.0283(9) Uani 1 1 d . . . . .
H004 H 0.0894 0.7945 0.2224 0.034 Uiso 1 1 calc R . . . .
C005 C 0.0987(4) 0.6203(4) 0.6489(3) 0.0248(9) Uani 1 1 d . . . . .
C006 C 0.2195(4) 0.7365(4) 0.4039(2) 0.0239(9) Uani 1 1 d . . . . .
C007 C 0.1235(4) 0.7539(5) 0.3422(3) 0.0292(9) Uani 1 1 d . . . . .
H007 H 0.0308 0.7452 0.3559 0.035 Uiso 1 1 calc R . . . .
N008 N 0.3286(5) 0.8291(5) 0.1587(3) 0.0454(12) Uani 1 1 d . . . . .
C009 C 0.3548(4) 0.7500(5) 0.3795(3) 0.0312(10) Uani 1 1 d . . . . .
H009 H 0.4238 0.7397 0.4195 0.037 Uiso 1 1 calc R . . . .
C00A C 0.0142(4) 0.6983(5) 0.5987(3) 0.0294(10) Uani 1 1 d . . . . .
H00A H -0.0721 0.7245 0.6185 0.035 Uiso 1 1 calc R . . . .
C00B C 0.2666(4) 0.6304(4) 0.5418(3) 0.0254(9) Uani 1 1 d . . . . .
H00B H 0.3548 0.6085 0.5235 0.030 Uiso 1 1 calc R . . . .
C00C C 0.2928(5) 0.7959(5) 0.2387(3) 0.0302(10) Uani 1 1 d . . . . .
C00D C 0.3906(5) 0.7778(5) 0.2995(3) 0.0371(11) Uani 1 1 d . . . . .
H00D H 0.4832 0.7847 0.2854 0.045 Uiso 1 1 calc R . . . .
C00E C 0.0543(4) 0.5683(4) 0.7307(3) 0.0253(9) Uani 1 1 d . . . . .
C00F C 0.2265(6) 0.8380(6) 0.0958(3) 0.0411(12) Uani 1 1 d . . . . .
H00C H 0.1798 0.7513 0.0911 0.062 Uiso 1 1 calc GR . . . .
H00E H 0.2688 0.8603 0.0430 0.062 Uiso 1 1 calc GR . . . .
H00F H 0.1615 0.9084 0.1104 0.062 Uiso 1 1 calc GR . . . .
B00G B -0.1125(5) 0.5893(5) 0.7587(3) 0.0283(10) Uani 1 1 d . . . . .
H00G H -0.1863 0.6482 0.7209 0.034 Uiso 1 1 calc R . . . .
B00H B 0.1608(5) 0.5590(5) 0.8134(3) 0.0315(11) Uani 1 1 d . . . . .
H00H H 0.2669 0.5975 0.8131 0.038 Uiso 1 1 calc R . . . .
B00I B 0.0550(6) 0.5707(6) 0.9011(3) 0.0371(13) Uani 1 1 d . . . . .
H00I H 0.0909 0.6175 0.9598 0.045 Uiso 1 1 calc R . . . .
B00J B 0.0205(5) 0.6701(5) 0.8134(3) 0.0322(11) Uani 1 1 d . . . . .
H00J H 0.0338 0.7822 0.8130 0.039 Uiso 1 1 calc R . . . .
B00K B 0.1144(6) 0.4103(6) 0.8673(3) 0.0354(12) Uani 1 1 d . . . . .
H00K H 0.1905 0.3510 0.9030 0.042 Uiso 1 1 calc R . . . .
C00L C 0.4656(9) 0.813(2) 0.1330(5) 0.159(8) Uani 1 1 d . . . . .
H00L H 0.5220 0.8801 0.1611 0.239 Uiso 1 1 calc GR . . . .
H00M H 0.4718 0.8267 0.0734 0.239 Uiso 1 1 calc GR . . . .
H00N H 0.4968 0.7225 0.1469 0.239 Uiso 1 1 calc GR . . . .


_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
C001 C003 1.397(6) . ?
C001 C00A 1.389(6) . ?
C002 C005 1.390(6) . ?
C002 C00B 1.380(6) . ?
C003 C006 1.477(6) . ?
C003 C00B 1.404(6) . ?
C004 C007 1.376(6) . ?
C004 C00C 1.394(6) . ?
C005 C00A 1.403(6) . ?
C005 C00E 1.494(6) . ?
C006 C007 1.394(6) . ?
C006 C009 1.406(6) . ?
N008 C00C 1.389(6) . ?
N008 C00F 1.442(7) . ?
N008 C00L 1.430(10) . ?
C009 C00D 1.376(7) . ?
C00C C00D 1.398(7) . ?
C00E C00E 1.731(8) 2_565 ?
C00E B00G 1.728(6) 2_565 ?
C00E B00G 1.729(6) . ?
C00E B00H 1.713(6) . ?
C00E B00J 1.715(6) . ?
B00G C00E 1.728(6) 2_565 ?
B00G B00H 1.785(7) 2_565 ?
B00G B00J 1.782(7) . ?
B00G B00K 1.766(7) 2_565 ?
B00H B00G 1.785(7) 2_565 ?
B00H B00I 1.773(8) . ?
B00H B00J 1.775(8) . ?
B00H B00K 1.776(7) . ?
B00I B00I 1.778(12) 2_565 ?
B00I B00J 1.767(8) . ?
B00I B00K 1.778(8) 2_565 ?
B00I B00K 1.784(8) . ?
B00J B00K 1.788(8) 2_565 ?
B00K B00G 1.766(7) 2_565 ?
B00K B00I 1.778(8) 2_565 ?
B00K B00J 1.788(8) 2_565 ?

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
C00A C001 C003 121.5(4) . . ?
C00B C002 C005 121.1(4) . . ?
C001 C003 C006 121.3(4) . . ?
C001 C003 C00B 116.6(4) . . ?
C00B C003 C006 122.0(4) . . ?
C007 C004 C00C 121.3(4) . . ?
C002 C005 C00A 117.6(4) . . ?
C002 C005 C00E 120.2(4) . . ?
C00A C005 C00E 122.1(4) . . ?
C007 C006 C003 121.6(4) . . ?
C007 C006 C009 115.9(4) . . ?
C009 C006 C003 122.5(4) . . ?
C004 C007 C006 122.3(4) . . ?
C00C N008 C00F 119.9(4) . . ?
C00C N008 C00L 119.4(5) . . ?
C00L N008 C00F 117.9(5) . . ?
C00D C009 C006 122.2(4) . . ?
C001 C00A C005 121.0(4) . . ?
C002 C00B C003 122.0(4) . . ?
C004 C00C C00D 117.2(4) . . ?
N008 C00C C004 121.7(4) . . ?
N008 C00C C00D 121.1(4) . . ?
C009 C00D C00C 121.0(4) . . ?
C005 C00E C00E 117.0(2) . 2_565 ?
C005 C00E B00G 116.7(3) . 2_565 ?
C005 C00E B00G 118.4(4) . . ?
C005 C00E B00H 122.4(4) . . ?
C005 C00E B00J 123.5(3) . . ?
B00G C00E C00E 59.9(3) . 2_565 ?
B00G C00E C00E 60.0(3) 2_565 2_565 ?
B00G C00E B00G 111.1(3) 2_565 . ?
B00H C00E C00E 110.0(3) . 2_565 ?
B00H C00E B00G 62.5(3) . 2_565 ?
B00H C00E B00G 112.9(4) . . ?
B00H C00E B00J 62.4(3) . . ?
B00J C00E C00E 109.8(3) . 2_565 ?
B00J C00E B00G 62.3(3) . . ?
B00J C00E B00G 113.1(4) . 2_565 ?
C00E B00G C00E 60.1(3) 2_565 . ?
C00E B00G B00H 106.8(4) . 2_565 ?
C00E B00G B00H 58.3(3) 2_565 2_565 ?
C00E B00G B00J 58.5(3) . . ?
C00E B00G B00J 106.9(4) 2_565 . ?
C00E B00G B00K 105.6(4) 2_565 2_565 ?
C00E B00G B00K 105.9(4) . 2_565 ?
B00J B00G B00H 108.7(4) . 2_565 ?
B00K B00G B00H 60.0(3) 2_565 2_565 ?
B00K B00G B00J 60.5(3) 2_565 . ?
C00E B00H B00G 59.2(3) . 2_565 ?
C00E B00H B00I 105.2(4) . . ?
C00E B00H B00J 58.9(3) . . ?
C00E B00H B00K 105.8(3) . . ?
B00I B00H B00G 107.2(4) . 2_565 ?
B00I B00H B00J 59.7(3) . . ?
B00I B00H B00K 60.3(3) . . ?
B00J B00H B00G 107.5(3) . 2_565 ?
B00J B00H B00K 108.2(4) . . ?
B00K B00H B00G 59.4(3) . 2_565 ?
B00H B00I B00I 108.2(3) . 2_565 ?
B00H B00I B00K 59.9(3) . . ?
B00H B00I B00K 108.5(3) . 2_565 ?
B00I B00I B00K 59.9(4) 2_565 . ?
B00J B00I B00H 60.2(3) . . ?
B00J B00I B00I 108.7(4) . 2_565 ?
B00J B00I B00K 60.6(3) . 2_565 ?
B00J B00I B00K 108.3(3) . . ?
B00K B00I B00I 60.2(4) 2_565 2_565 ?
B00K B00I B00K 108.2(4) 2_565 . ?
C00E B00J B00G 59.2(3) . . ?
C00E B00J B00H 58.8(3) . . ?
C00E B00J B00I 105.4(4) . . ?
C00E B00J B00K 105.6(3) . 2_565 ?
B00G B00J B00K 59.3(3) . 2_565 ?
B00H B00J B00G 107.6(3) . . ?
B00H B00J B00K 108.0(4) . 2_565 ?
B00I B00J B00G 107.2(4) . . ?
B00I B00J B00H 60.1(3) . . ?
B00I B00J B00K 60.0(3) . 2_565 ?
B00G B00K B00H 60.5(3) 2_565 . ?
B00G B00K B00I 107.6(4) 2_565 . ?
B00G B00K B00I 107.4(4) 2_565 2_565 ?
B00G B00K B00J 60.2(3) 2_565 2_565 ?
B00H B00K B00I 108.0(4) . 2_565 ?
B00H B00K B00I 59.7(3) . . ?
B00H B00K B00J 108.8(4) . 2_565 ?
B00I B00K B00I 59.9(4) 2_565 . ?
B00I B00K B00J 59.4(3) 2_565 2_565 ?
B00I B00K B00J 107.6(4) . 2_565 ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 -0.161 73.0 0.0 ?
2 0.000 0.000 0.419 8.0 0.0 ?
3 0.000 0.500 0.412 7.1 0.5 ?
4 0.500 0.500 0.018 120.8 0.0 ?
5 0.500 0.000 0.413 7.1 0.6 ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_s_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1917768'
_audit_update_record             
;
2019-05-22 deposited with the CCDC.	2019-09-19 downloaded from the CCDC.
;
_audit_creation_date             2019-04-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H28 B10'
_chemical_formula_sum            'C26 H28 B10'
_chemical_formula_weight         448.58
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.5625(6)
_cell_length_b                   14.0717(6)
_cell_length_c                   27.7111(11)
_cell_angle_alpha                100.4710(10)
_cell_angle_beta                 99.9750(10)
_cell_angle_gamma                95.0160(10)
_cell_volume                     5083.1(4)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9680
_cell_measurement_temperature    153
_cell_measurement_theta_max      68.290
_cell_measurement_theta_min      3.218
_shelx_estimated_absorpt_T_max   0.880
_shelx_estimated_absorpt_T_min   0.811
_exptl_absorpt_coefficient_mu    0.436
_exptl_absorpt_correction_T_max  0.7530
_exptl_absorpt_correction_T_min  0.7007
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0850 before and 0.0560 after correction. The Ratio of minimum to maximum transmission is 0.9305. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.172
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1872
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_av_unetI/netI     0.0156
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            155401
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.318
_diffrn_reflns_theta_min         3.218
_diffrn_ambient_temperature      153.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                17722
_reflns_number_total             18518
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         0.218
_refine_diff_density_min         -0.193
_refine_diff_density_rms         0.033
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1297
_refine_ls_number_reflns         18518
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0426
_refine_ls_R_factor_gt           0.0412
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0485P)²+1.7348P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1029
_refine_ls_wR_factor_ref         0.1041
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C005(H005), C006(H006), C009(H009), C00A(H00A), C00B(H00B), C00D(H00D),
 C00H(H00H), C00K(H00K), C00L(H00L), C00S(H00S), C00T(H00T), C00W(H00W),
 C00X(H00X), C00Y(H00Y), C010(H010), C012(H012), C013(H013), C014(H014),
 C015(H015), C016(H016), C017(H017), C018(H018), C01E(H01E), C01G(H01G),
 C01H(H01H), C01I(H01I), C01J(H01J), C01K(H01K), C01M(H01M), C01N(H01N),
 C01P(H01P), C01Q(H01Q), C01S(H01S), C01T(H01T), C01U(H01U), C01V(H01V),
 C01W(H01W), C01X(H01X), C01Y(H01Y), C01Z(H01Z), C020(H020), C021(H021),
 C022(H022), C023(H023), C024(H024), C025(H025), C027(H027), C028(H028),
 C029(H029), C02A(H02A), C02B(H02B), C02C(H02C), C02D(H02D), C02E(H02E),
 C02F(H02F), C02G(H02G), C02H(H02H), C02I(H02I), C02J(H02J), C02K(H02K),
 C02L(H02L), C02M(H02M), C02N(H02N), C02O(H02O), C02P(H02P), C02Q(H02Q),
 C02R(H02R), C02T(H02T), C02V(H02V), C02Z(H02Z), C034(H034), C03U(H03U)
2.b Boron cage BH refined with riding coordinates:
 B02S(H02S), B02U(H02U), B02W(H02W), B02X(H02X), B02Y(H02Y), B030(H030),
 B031(H031), B032(H032), B033(H033), B035(H035), B036(H036), B037(H037),
 B038(H038), B039(H039), B03A(H03A), B03B(H03B), B03C(H03C), B03D(H03D),
 B03E(H03E), B03F(H03F), B03G(H03G), B03H(H03H), B03I(H03I), B03J(H03J),
 B03K(H03K), B03L(H03L), B03M(H03M), B03N(H03N), B03O(H03O), B03P(H03P),
 B03Q(H03Q), B03R(H03R), B03S(H03S), B03T(H03T), B03V(H03V), B03W(H03W),
 B03X(H03X), B03Y(H03Y), B03Z(H03Z), B040(H040)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C00B C 0.18983(8) 0.10554(8) 0.05494(4) 0.0258(2) Uani 1 1 d . . . . .
C00C C 0.25363(9) 0.50371(8) 0.16389(4) 0.0254(2) Uani 1 1 d . . . . .
C00F C 0.16163(8) 0.33937(8) 0.01287(4) 0.0230(2) Uani 1 1 d . . . . .
C00I C 0.11875(8) 0.21696(8) 0.00046(4) 0.0232(2) Uani 1 1 d . . . . .
C00M C 0.28817(9) 0.56274(9) 0.21512(4) 0.0267(2) Uani 1 1 d . . . . .
C00Q C 0.11292(9) 0.06481(8) 0.12226(4) 0.0260(2) Uani 1 1 d . . . . .
C00S C 0.29505(10) 0.66381(9) 0.22344(5) 0.0319(3) Uani 1 1 d . . . . .
C00V C 0.11184(9) 0.01428(8) 0.16471(4) 0.0271(2) Uani 1 1 d . . . . .
C00Y C 0.15308(9) -0.07278(9) 0.16530(5) 0.0304(3) Uani 1 1 d . . . . .
C001 C 0.11654(8) 0.16544(8) 0.04313(4) 0.0242(2) Uani 1 1 d . . . . .
C01G C 0.13885(9) 0.46731(9) 0.08418(4) 0.0311(3) Uani 1 1 d . . . . .
C01I C 0.31474(10) 0.51827(10) 0.25573(5) 0.0332(3) Uani 1 1 d . . . . .
C01V C 0.32624(10) 0.71943(10) 0.27127(5) 0.0390(3) Uani 1 1 d . . . . .
C01X C 0.04006(10) 0.17201(10) 0.07057(5) 0.0403(3) Uani 1 1 d . . . . .
C02B C 0.10911(11) -0.08130(11) 0.24487(5) 0.0404(3) Uani 1 1 d . . . . .
C02H C 0.34474(10) 0.57427(11) 0.30361(5) 0.0397(3) Uani 1 1 d . . . . .
C02K C 0.06924(11) 0.05247(10) 0.20532(5) 0.0377(3) Uani 1 1 d . . . . .
C02P C 0.06831(12) 0.00495(11) 0.24491(5) 0.0430(3) Uani 1 1 d . . . . .
C003 C 0.19235(8) 0.39302(8) 0.06622(4) 0.0236(2) Uani 1 1 d . . . . .
C006 C 0.18780(9) 0.05641(8) 0.09368(4) 0.0260(2) Uani 1 1 d . . . . .
C010 C 0.27605(10) 0.37407(9) 0.09795(5) 0.0335(3) Uani 1 1 d . . . . .
C016 C 0.16968(9) 0.52205(9) 0.13205(5) 0.0317(3) Uani 1 1 d . . . . .
C023 C 0.30525(10) 0.42821(9) 0.14606(5) 0.0348(3) Uani 1 1 d . . . . .
C024 C 0.03848(11) 0.12245(11) 0.10912(6) 0.0419(3) Uani 1 1 d . . . . .
C025 C 0.35046(10) 0.67456(11) 0.31139(5) 0.0409(3) Uani 1 1 d . . . . .
C028 C 0.15104(10) -0.11989(10) 0.20497(5) 0.0389(3) Uani 1 1 d . . . . .
B02S B 0.03429(10) 0.29999(9) -0.00918(5) 0.0246(3) Uani 1 1 d . . . . .
B02U B 0.23598(10) 0.25588(9) -0.01085(5) 0.0245(3) Uani 1 1 d . . . . .
B02W B 0.02670(10) 0.18816(10) -0.05238(5) 0.0268(3) Uani 1 1 d . . . . .
B02X B 0.09813(10) 0.39285(10) -0.03190(5) 0.0262(3) Uani 1 1 d . . . . .
B03A B 0.22362(10) 0.36604(10) -0.03264(5) 0.0265(3) Uani 1 1 d . . . . .
B03B B 0.01335(10) 0.29843(10) -0.07407(5) 0.0284(3) Uani 1 1 d . . . . .
B03N B 0.21730(10) 0.25437(10) -0.07568(5) 0.0284(3) Uani 1 1 d . . . . .
B033 B 0.08730(11) 0.21270(10) -0.10179(5) 0.0295(3) Uani 1 1 d . . . . .
B035 B 0.15219(10) 0.16107(10) -0.05341(5) 0.0265(3) Uani 1 1 d . . . . .
B038 B 0.13117(11) 0.33927(10) -0.08888(5) 0.0293(3) Uani 1 1 d . . . . .
H00B H 0.2419 0.0984 0.0361 0.031 Uiso 1 1 calc R . . . .
H00S H 0.2782 0.6951 0.1960 0.038 Uiso 1 1 calc R . . . .
H00Y H 0.1829 -0.1002 0.1382 0.036 Uiso 1 1 calc R . . . .
H01G H 0.0805 0.4805 0.0633 0.037 Uiso 1 1 calc R . . . .
H01I H 0.3123 0.4494 0.2506 0.040 Uiso 1 1 calc R . . . .
H01V H 0.3310 0.7884 0.2765 0.047 Uiso 1 1 calc R . . . .
H01X H -0.0118 0.2111 0.0627 0.048 Uiso 1 1 calc R . . . .
H02B H 0.1083 -0.1138 0.2720 0.049 Uiso 1 1 calc R . . . .
H02H H 0.3615 0.5435 0.3312 0.048 Uiso 1 1 calc R . . . .
H02K H 0.0405 0.1118 0.2058 0.045 Uiso 1 1 calc R . . . .
H02P H 0.0393 0.0321 0.2723 0.052 Uiso 1 1 calc R . . . .
H02S H -0.0248 0.3152 0.0139 0.029 Uiso 1 1 calc R . . . .
H02U H 0.3089 0.2418 0.0111 0.029 Uiso 1 1 calc R . . . .
H02W H -0.0381 0.1295 -0.0585 0.032 Uiso 1 1 calc R . . . .
H02X H 0.0801 0.4697 -0.0246 0.031 Uiso 1 1 calc R . . . .
H03A H 0.2886 0.4248 -0.0257 0.032 Uiso 1 1 calc R . . . .
H03B H -0.0607 0.3125 -0.0948 0.034 Uiso 1 1 calc R . . . .
H03N H 0.2783 0.2392 -0.0976 0.034 Uiso 1 1 calc R . . . .
H006 H 0.2386 0.0160 0.1010 0.031 Uiso 1 1 calc R . . . .
H010 H 0.3136 0.3235 0.0865 0.040 Uiso 1 1 calc R . . . .
H016 H 0.1328 0.5732 0.1434 0.038 Uiso 1 1 calc R . . . .
H023 H 0.3620 0.4134 0.1674 0.042 Uiso 1 1 calc R . . . .
H024 H -0.0149 0.1279 0.1272 0.050 Uiso 1 1 calc R . . . .
H025 H 0.3710 0.7126 0.3443 0.049 Uiso 1 1 calc R . . . .
H028 H 0.1789 -0.1796 0.2046 0.047 Uiso 1 1 calc R . . . .
H033 H 0.0624 0.1703 -0.1410 0.035 Uiso 1 1 calc R . . . .
H035 H 0.1702 0.0842 -0.0603 0.032 Uiso 1 1 calc R . . . .
H038 H 0.1350 0.3803 -0.1197 0.035 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C00C C00M 1.4825(16) . ?
C00C C016 1.3883(17) . ?
C00C C023 1.3863(17) . ?
C00F C00I 1.7216(15) . ?
C00F B02S 1.7340(16) . ?
C00F B02U 1.7278(16) . ?
C00F B02X 1.7116(16) . ?
C00F B03A 1.7095(16) . ?
C00I B02S 1.7291(16) . ?
C00I B02U 1.7345(16) . ?
C00I B02W 1.7115(17) . ?
C00I B035 1.7095(16) . ?
C00M C00S 1.3910(17) . ?
C00M C01I 1.3939(17) . ?
C00Q C00V 1.4825(16) . ?
C00Q C024 1.3904(17) . ?
C00S C01V 1.3851(18) . ?
C00V C00Y 1.3921(17) . ?
C00V C02K 1.3959(17) . ?
C00Y C028 1.3860(18) . ?
C001 C00B 1.3927(16) . ?
C001 C00I 1.4982(15) . ?
C001 C01X 1.3883(17) . ?
C01I C02H 1.3870(18) . ?
C01V C025 1.381(2) . ?
C01X C024 1.3799(18) . ?
C02B C02P 1.377(2) . ?
C02K C02P 1.3860(19) . ?
C003 C00F 1.5017(15) . ?
C003 C01G 1.3914(16) . ?
C003 C010 1.3876(16) . ?
C006 C00B 1.3812(16) . ?
C006 C00Q 1.3922(16) . ?
C010 C023 1.3818(17) . ?
C016 C01G 1.3814(17) . ?
C025 C02H 1.382(2) . ?
C028 C02B 1.376(2) . ?
B02S B02W 1.7788(18) . ?
B02S B02X 1.7730(18) . ?
B02S B03B 1.7669(18) . ?
B02U B03A 1.7739(18) . ?
B02U B03N 1.7663(18) . ?
B02U B035 1.7778(18) . ?
B02W B03B 1.7753(19) . ?
B02W B033 1.7837(19) . ?
B02W B035 1.7803(18) . ?
B02X B03A 1.7778(19) . ?
B02X B03B 1.7765(19) . ?
B02X B038 1.7701(18) . ?
B03A B03N 1.7774(19) . ?
B033 B03B 1.7868(19) . ?
B033 B03N 1.7886(19) . ?
B033 B035 1.7768(19) . ?
B033 B038 1.7787(19) . ?
B035 B03N 1.7791(19) . ?
B038 B03A 1.7803(19) . ?
B038 B03B 1.7901(19) . ?
B038 B03N 1.783(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
C006 C00B C001 120.87(10) . . ?
C016 C00C C00M 121.69(10) . . ?
C023 C00C C00M 120.61(11) . . ?
C023 C00C C016 117.70(11) . . ?
C00I C00F B02S 60.05(7) . . ?
C00I C00F B02U 60.38(6) . . ?
C003 C00F C00I 119.33(9) . . ?
C003 C00F B02S 117.15(9) . . ?
C003 C00F B02U 119.23(9) . . ?
C003 C00F B02X 120.84(9) . . ?
C003 C00F B03A 121.78(9) . . ?
B02U C00F B02S 111.62(9) . . ?
B02X C00F C00I 109.38(8) . . ?
B02X C00F B02S 61.93(7) . . ?
B02X C00F B02U 112.85(9) . . ?
B03A C00F C00I 109.95(8) . . ?
B03A C00F B02S 113.15(9) . . ?
B03A C00F B02U 62.13(7) . . ?
B03A C00F B02X 62.62(7) . . ?
C00F C00I B02S 60.33(7) . . ?
C00F C00I B02U 59.99(6) . . ?
C001 C00I C00F 119.25(9) . . ?
C001 C00I B02S 118.88(9) . . ?
C001 C00I B02U 117.48(9) . . ?
C001 C00I B02W 121.46(9) . . ?
C001 C00I B035 120.76(9) . . ?
B02S C00I B02U 111.53(9) . . ?
B02W C00I C00F 110.12(8) . . ?
B02W C00I B02S 62.26(7) . . ?
B02W C00I B02U 113.29(9) . . ?
B035 C00I C00F 109.72(8) . . ?
B035 C00I B02S 113.13(9) . . ?
B035 C00I B02U 62.15(7) . . ?
B035 C00I B02W 62.72(7) . . ?
C00S C00M C00C 120.42(11) . . ?
C00S C00M C01I 118.78(11) . . ?
C01I C00M C00C 120.79(11) . . ?
C006 C00Q C00V 121.74(10) . . ?
C024 C00Q C00V 121.20(11) . . ?
C024 C00Q C006 117.06(11) . . ?
C01V C00S C00M 120.77(12) . . ?
C00Y C00V C00Q 121.08(11) . . ?
C00Y C00V C02K 117.92(11) . . ?
C02K C00V C00Q 121.00(11) . . ?
C028 C00Y C00V 120.67(12) . . ?
C00B C001 C00I 120.26(10) . . ?
C01X C001 C00B 117.93(11) . . ?
C01X C001 C00I 121.75(10) . . ?
C016 C01G C003 120.71(11) . . ?
C02H C01I C00M 120.18(12) . . ?
C025 C01V C00S 119.99(13) . . ?
C024 C01X C001 120.78(12) . . ?
C028 C02B C02P 119.16(12) . . ?
C025 C02H C01I 120.41(13) . . ?
C02P C02K C00V 120.82(13) . . ?
C02B C02P C02K 120.59(13) . . ?
C01G C003 C00F 119.63(10) . . ?
C010 C003 C00F 121.98(10) . . ?
C010 C003 C01G 118.32(11) . . ?
C00B C006 C00Q 121.50(11) . . ?
C023 C010 C003 120.48(11) . . ?
C01G C016 C00C 121.21(11) . . ?
C010 C023 C00C 121.56(11) . . ?
C01X C024 C00Q 121.81(12) . . ?
C01V C025 C02H 119.85(12) . . ?
C02B C028 C00Y 120.84(13) . . ?
C00F B02S B02W 106.47(9) . . ?
C00F B02S B02X 58.41(7) . . ?
C00F B02S B03B 105.77(9) . . ?
C00I B02S C00F 59.62(6) . . ?
C00I B02S B02W 58.38(7) . . ?
C00I B02S B02X 106.25(9) . . ?
C00I B02S B03B 105.52(9) . . ?
B02X B02S B02W 108.26(9) . . ?
B03B B02S B02W 60.09(7) . . ?
B03B B02S B02X 60.24(7) . . ?
C00F B02U C00I 59.63(6) . . ?
C00F B02U B03A 58.43(7) . . ?
C00F B02U B03N 105.69(9) . . ?
C00F B02U B035 106.32(9) . . ?
C00I B02U B03A 106.42(9) . . ?
C00I B02U B03N 105.57(9) . . ?
C00I B02U B035 58.23(7) . . ?
B03A B02U B035 108.45(9) . . ?
B03N B02U B03A 60.27(7) . . ?
B03N B02U B035 60.26(7) . . ?
C00I B02W B02S 59.36(7) . . ?
C00I B02W B03B 105.91(9) . . ?
C00I B02W B033 105.37(9) . . ?
C00I B02W B035 58.59(7) . . ?
B02S B02W B033 107.55(9) . . ?
B02S B02W B035 107.47(9) . . ?
B03B B02W B02S 59.62(7) . . ?
B03B B02W B033 60.27(8) . . ?
B03B B02W B035 108.00(9) . . ?
B035 B02W B033 59.81(8) . . ?
C00F B02X B02S 59.65(7) . . ?
C00F B02X B03A 58.63(7) . . ?
C00F B02X B03B 106.32(9) . . ?
C00F B02X B038 105.82(9) . . ?
B02S B02X B03A 108.08(9) . . ?
B02S B02X B03B 59.71(7) . . ?
B03B B02X B03A 108.78(9) . . ?
B038 B02X B02S 108.14(9) . . ?
B038 B02X B03A 60.24(8) . . ?
B038 B02X B03B 60.63(8) . . ?
C00F B03A B02U 59.44(7) . . ?
C00F B03A B02X 58.75(7) . . ?
C00F B03A B03N 105.99(9) . . ?
C00F B03A B038 105.47(9) . . ?
B02U B03A B02X 107.57(9) . . ?
B02U B03A B03N 59.65(7) . . ?
B02U B03A B038 107.56(9) . . ?
B02X B03A B038 59.67(7) . . ?
B03N B03A B02X 107.80(9) . . ?
B03N B03A B038 60.17(8) . . ?
B02S B03B B02W 60.29(7) . . ?
B02S B03B B02X 60.05(7) . . ?
B02S B03B B033 107.94(9) . . ?
B02S B03B B038 107.53(9) . . ?
B02W B03B B02X 108.26(9) . . ?
B02W B03B B033 60.09(8) . . ?
B02W B03B B038 107.84(10) . . ?
B02X B03B B033 107.43(9) . . ?
B02X B03B B038 59.51(7) . . ?
B033 B03B B038 59.64(8) . . ?
B02U B03N B03A 60.07(7) . . ?
B02U B03N B033 107.84(9) . . ?
B02U B03N B035 60.19(7) . . ?
B02U B03N B038 107.76(9) . . ?
B03A B03N B033 107.95(9) . . ?
B03A B03N B035 108.24(9) . . ?
B03A B03N B038 60.00(8) . . ?
B035 B03N B033 59.74(8) . . ?
B035 B03N B038 107.55(9) . . ?
B038 B03N B033 59.73(8) . . ?
B02W B033 B03B 59.63(7) . . ?
B02W B033 B03N 107.92(9) . . ?
B03B B033 B03N 108.03(9) . . ?
B035 B033 B02W 60.00(7) . . ?
B035 B033 B03B 107.65(9) . . ?
B035 B033 B03N 59.86(8) . . ?
B035 B033 B038 107.86(9) . . ?
B038 B033 B02W 107.98(9) . . ?
B038 B033 B03B 60.27(8) . . ?
B038 B033 B03N 59.99(8) . . ?
C00I B035 B02U 59.62(7) . . ?
C00I B035 B02W 58.70(7) . . ?
C00I B035 B03N 106.09(9) . . ?
C00I B035 B033 105.75(9) . . ?
B02U B035 B02W 107.99(9) . . ?
B02U B035 B03N 59.55(7) . . ?
B03N B035 B02W 108.49(10) . . ?
B033 B035 B02U 107.85(9) . . ?
B033 B035 B02W 60.19(8) . . ?
B033 B035 B03N 60.40(8) . . ?
B02X B038 B03A 60.10(7) . . ?
B02X B038 B03B 59.86(7) . . ?
B02X B038 B03N 107.87(9) . . ?
B02X B038 B033 108.07(9) . . ?
B03A B038 B03B 108.06(9) . . ?
B03A B038 B03N 59.83(8) . . ?
B03N B038 B03B 108.11(9) . . ?
B033 B038 B03A 108.26(9) . . ?
B033 B038 B03B 60.09(8) . . ?
B033 B038 B03N 60.28(8) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_1905164936_0m_sq_pl
_database_code_depnum_ccdc_archive 'CCDC 1917769'
_audit_update_record             
;
2019-05-22 deposited with the CCDC.	2019-09-19 downloaded from the CCDC.
;
_audit_creation_date             2019-05-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '4(C26 H28 B10 O2)'
_chemical_formula_sum            'C104 H116 B40 O8'
_chemical_formula_weight         1926.36
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0148 0.0070 '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 0.0073 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0412 0.0250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   20.3497(7)
_cell_length_b                   11.0447(3)
_cell_length_c                   28.6138(9)
_cell_angle_alpha                90
_cell_angle_beta                 110.692(2)
_cell_angle_gamma                90
_cell_volume                     6016.3(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9835
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      54.91
_cell_measurement_theta_min      2.87
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.290
_exptl_absorpt_correction_T_max  0.7508
_exptl_absorpt_correction_T_min  0.6052
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1352 before and 0.0866 after correction.
The Ratio of minimum to maximum transmission is 0.8061.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.063
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2008
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0971
_diffrn_reflns_av_unetI/netI     0.0773
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            61453
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.919
_diffrn_reflns_theta_min         3.767
_diffrn_ambient_temperature      170.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7077
_reflns_number_total             11435
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         4.675
_refine_diff_density_min         -1.094
_refine_diff_density_rms         0.285
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.211
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     685
_refine_ls_number_reflns         11435
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2900
_refine_ls_R_factor_gt           0.2351
_refine_ls_restrained_S_all      2.211
_refine_ls_shift/su_max          0.082
_refine_ls_shift/su_mean         0.016
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.5474
_refine_ls_wR_factor_ref         0.5766
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
 At 1.5 times of:
  All O(H) groups
2.a Riding coordinates:
 O1(H1), O2(H2), B1(H1A), B2(H2B), B3(H3A), B4(H4), B5(H5A), B6(H6A), B7(H7),
 B8(H8A), B9(H9A), B10(H10), O5(H5B), O6(H6B), B21(H21A), B22(H22), B23(H23A),
 B24(H24A), B25(H25A), B26(H26A), B27(H27), B28(H28), B29(H29), B30(H30)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2A), C3(H3), C5(H5), C6(H6), C8(H8), C9(H9), C11(H11), C12(H12), C16(H16),
  C17(H17), C20(H20), C21(H21), C23(H23), C24(H24), C25(H25), C26(H26),
 C54(H54), C55(H55), C57(H57), C58(H58), C60(H60), C61(H61), C63(H63), C64(H64),
  C68(H68), C69(H69), C72(H72), C73(H73), C75(H75), C76(H76), C77(H77), C78(H78)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O -1.1690(3) 0.3186(5) -0.50134(19) 0.0358(13) Uani 1 1 d . . . . .
H1 H -1.152904 0.249925 -0.503845 0.054 Uiso 1 1 d R . . . .
O2 O -1.1654(3) 0.3174(5) -0.08056(19) 0.0358(13) Uani 1 1 d . . . . .
H2 H -1.150178 0.248104 -0.070142 0.054 Uiso 1 1 d R . . . .
C1 C -1.2307(5) 0.3022(9) -0.4909(3) 0.044(2) Uani 1 1 d . . . . .
C2 C -1.2730(5) 0.2025(9) -0.5084(4) 0.046(2) Uani 1 1 d . . . . .
H2A H -1.260963 0.143529 -0.528198 0.056 Uiso 1 1 calc R . . . .
C3 C -1.3330(4) 0.1889(8) -0.4969(3) 0.044(2) Uani 1 1 d . . . . .
H3 H -1.362693 0.121126 -0.509583 0.053 Uiso 1 1 calc R . . . .
C4 C -1.3504(4) 0.2718(9) -0.4675(3) 0.042(2) Uani 1 1 d . . . . .
C5 C -1.3069(5) 0.3710(11) -0.4492(4) 0.063(3) Uani 1 1 d . . . . .
H5 H -1.319138 0.429496 -0.429342 0.075 Uiso 1 1 calc R . . . .
C6 C -1.2466(5) 0.3853(12) -0.4595(4) 0.067(3) Uani 1 1 d . . . . .
H6 H -1.215865 0.451014 -0.445392 0.080 Uiso 1 1 calc R . . . .
C7 C -1.4180(4) 0.2590(8) -0.4585(3) 0.038(2) Uani 1 1 d . . . . .
C8 C -1.4571(4) 0.3659(9) -0.4587(3) 0.042(2) Uani 1 1 d . . . . .
H8 H -1.439477 0.441977 -0.464379 0.051 Uiso 1 1 calc R . . . .
C9 C -1.5194(4) 0.3611(9) -0.4509(3) 0.039(2) Uani 1 1 d . . . . .
H9 H -1.544683 0.433778 -0.451675 0.047 Uiso 1 1 calc R . . . .
C10 C -1.5464(4) 0.2516(8) -0.4418(3) 0.033(2) Uani 1 1 d . . . . .
C11 C -1.5092(4) 0.1459(9) -0.4429(3) 0.042(2) Uani 1 1 d . . . . .
H11 H -1.527314 0.069639 -0.437980 0.051 Uiso 1 1 calc R . . . .
C12 C -1.4463(4) 0.1516(9) -0.4512(3) 0.044(2) Uani 1 1 d . . . . .
H12 H -1.422016 0.078509 -0.451789 0.052 Uiso 1 1 calc R . . . .
C13 C -1.6156(4) 0.2470(8) -0.4340(3) 0.035(2) Uani 1 1 d . . . . .
C14 C -1.6157(3) 0.2495(7) -0.3734(3) 0.032(2) Uani 1 1 d . . . . .
C15 C -1.5461(4) 0.2524(7) -0.3309(3) 0.0304(19) Uani 1 1 d . . . . .
C16 C -1.5172(4) 0.3633(8) -0.3085(3) 0.037(2) Uani 1 1 d . . . . .
H16 H -1.541376 0.436620 -0.321059 0.045 Uiso 1 1 calc R . . . .
C17 C -1.4549(4) 0.3670(8) -0.2691(3) 0.039(2) Uani 1 1 d . . . . .
H17 H -1.437128 0.442811 -0.254331 0.046 Uiso 1 1 calc R . . . .
C18 C -1.4164(4) 0.2601(8) -0.2497(3) 0.034(2) Uani 1 1 d . . . . .
C19 C -1.3489(4) 0.2697(9) -0.2071(3) 0.044(2) Uani 1 1 d . . . . .
C20 C -1.3032(5) 0.3733(11) -0.2018(3) 0.064(3) Uani 1 1 d . . . . .
H20 H -1.315982 0.433554 -0.227114 0.076 Uiso 1 1 calc R . . . .
C21 C -1.2420(5) 0.3877(11) -0.1614(3) 0.060(3) Uani 1 1 d . . . . .
H21 H -1.211976 0.454707 -0.159751 0.072 Uiso 1 1 calc R . . . .
C22 C -1.2246(4) 0.3019(9) -0.1226(3) 0.037(2) Uani 1 1 d . . . . .
C23 C -1.2679(5) 0.2026(8) -0.1266(3) 0.045(2) Uani 1 1 d . . . . .
H23 H -1.255797 0.144002 -0.100626 0.054 Uiso 1 1 calc R . . . .
C24 C -1.3289(4) 0.1876(8) -0.1682(3) 0.039(2) Uani 1 1 d . . . . .
H24 H -1.357696 0.118866 -0.169786 0.047 Uiso 1 1 calc R . . . .
C25 C -1.4451(5) 0.1532(10) -0.2711(3) 0.049(2) Uani 1 1 d . . . . .
H25 H -1.420924 0.079904 -0.258509 0.059 Uiso 1 1 calc R . . . .
C26 C -1.5087(4) 0.1481(9) -0.3109(3) 0.043(2) Uani 1 1 d . . . . .
H26 H -1.526922 0.071717 -0.324713 0.051 Uiso 1 1 calc R . . . .
B1 B -1.6396(4) 0.3767(10) -0.4096(3) 0.033(2) Uani 1 1 d . . . . .
H1A H -1.608145 0.462430 -0.402837 0.040 Uiso 1 1 d R . . . .
B2 B -1.6853(4) 0.3298(10) -0.3709(3) 0.038(2) Uani 1 1 d . . . . .
H2B H -1.685033 0.382173 -0.337322 0.046 Uiso 1 1 d R . . . .
B3 B -1.6830(4) 0.1688(12) -0.3690(4) 0.047(3) Uani 1 1 d . . . . .
H3A H -1.680403 0.116316 -0.334932 0.056 Uiso 1 1 d R . . . .
B4 B -1.6379(4) 0.1189(10) -0.4086(3) 0.037(2) Uani 1 1 d . . . . .
H4 H -1.605274 0.034454 -0.400420 0.044 Uiso 1 1 d R . . . .
B5 B -1.6849(4) 0.1666(10) -0.4708(3) 0.039(2) Uani 1 1 d . . . . .
H5A H -1.685670 0.112771 -0.504159 0.047 Uiso 1 1 d R . . . .
B6 B -1.6862(4) 0.3251(11) -0.4722(3) 0.044(3) Uani 1 1 d . . . . .
H6A H -1.685550 0.378548 -0.505293 0.053 Uiso 1 1 d R . . . .
B7 B -1.7326(4) 0.3750(11) -0.4328(3) 0.045(3) Uani 1 1 d . . . . .
H7 H -1.763224 0.461542 -0.439935 0.054 Uiso 1 1 d R . . . .
B8 B -1.7599(4) 0.2439(10) -0.4703(4) 0.045(3) Uani 1 1 d . . . . .
H8A H -1.809877 0.242648 -0.503517 0.054 Uiso 1 1 d R . . . .
B9 B -1.7311(4) 0.1176(11) -0.4317(4) 0.046(3) Uani 1 1 d . . . . .
H9A H -1.761286 0.030584 -0.437578 0.055 Uiso 1 1 d R . . . .
B10 B -1.7598(5) 0.2463(10) -0.4084(4) 0.046(3) Uani 1 1 d . . . . .
H10 H -1.810332 0.246351 -0.401026 0.055 Uiso 1 1 d R . . . .
O5 O -1.0905(3) -0.4633(5) -0.4736(2) 0.0574(19) Uani 1 1 d . . . . .
H5B H -1.118537 -0.521983 -0.480486 0.086 Uiso 1 1 d R . . . .
O6 O -1.0872(3) -0.4632(6) -0.0699(3) 0.061(2) Uani 1 1 d . . . . .
H6B H -1.097368 -0.514884 -0.051939 0.092 Uiso 1 1 d R . . . .
C53 C -1.0311(4) -0.4967(8) -0.4344(3) 0.043(2) Uani 1 1 d . . . . .
C54 C -0.9681(4) -0.4327(9) -0.4249(3) 0.048(2) Uani 1 1 d . . . . .
H54 H -0.966086 -0.367438 -0.446022 0.057 Uiso 1 1 calc R . . . .
C55 C -0.9103(4) -0.4638(8) -0.3858(3) 0.044(2) Uani 1 1 d . . . . .
H55 H -0.868973 -0.415963 -0.378000 0.053 Uiso 1 1 calc R . . . .
C56 C -0.9101(4) -0.5651(7) -0.3565(3) 0.0364(19) Uani 1 1 d . . . . .
C57 C -0.9702(5) -0.6279(9) -0.3666(4) 0.058(3) Uani 1 1 d . . . . .
H57 H -0.971393 -0.696385 -0.346797 0.070 Uiso 1 1 calc R . . . .
C58 C -1.0308(5) -0.5936(9) -0.4058(5) 0.070(4) Uani 1 1 d . . . . .
H58 H -1.072618 -0.639416 -0.412382 0.084 Uiso 1 1 calc R . . . .
C59 C -0.8446(4) -0.6013(7) -0.3145(3) 0.0331(18) Uani 1 1 d . . . . .
C60 C -0.7950(4) -0.5167(7) -0.2876(3) 0.0353(19) Uani 1 1 d . . . . .
H60 H -0.802017 -0.433250 -0.295948 0.042 Uiso 1 1 calc R . . . .
C61 C -0.7348(4) -0.5539(8) -0.2482(3) 0.043(2) Uani 1 1 d . . . . .
H61 H -0.701458 -0.494873 -0.230224 0.052 Uiso 1 1 calc R . . . .
C62 C -0.7229(4) -0.6733(7) -0.2349(3) 0.0323(18) Uani 1 1 d . . . . .
C63 C -0.7698(4) -0.7556(7) -0.2645(3) 0.0329(19) Uani 1 1 d . . . . .
H63 H -0.759335 -0.839234 -0.258357 0.039 Uiso 1 1 calc R . . . .
C64 C -0.8320(5) -0.7240(9) -0.3031(3) 0.050(2) Uani 1 1 d . . . . .
H64 H -0.864576 -0.784058 -0.320963 0.060 Uiso 1 1 calc R . . . .
C65 C -0.6575(4) -0.7201(9) -0.1939(3) 0.036(2) Uani 1 1 d . . . . .
C66 C -0.6558(4) -0.7194(9) -0.1332(3) 0.037(2) Uani 1 1 d . . . . .
C67 C -0.7209(4) -0.6732(7) -0.1233(3) 0.0328(18) Uani 1 1 d . . . . .
C68 C -0.7682(4) -0.7554(7) -0.1186(3) 0.0336(19) Uani 1 1 d . . . . .
H68 H -0.759480 -0.838716 -0.122446 0.040 Uiso 1 1 calc R . . . .
C69 C -0.8273(5) -0.7258(9) -0.1089(4) 0.050(3) Uani 1 1 d . . . . .
H69 H -0.857855 -0.786553 -0.104727 0.060 Uiso 1 1 calc R . . . .
C70 C -0.8414(4) -0.6011(7) -0.1053(3) 0.0332(18) Uani 1 1 d . . . . .
C71 C -0.9057(4) -0.5640(7) -0.0957(3) 0.0351(18) Uani 1 1 d . . . . .
C72 C -0.9066(4) -0.4634(8) -0.0674(3) 0.043(2) Uani 1 1 d . . . . .
H72 H -0.865077 -0.416631 -0.053484 0.052 Uiso 1 1 calc R . . . .
C73 C -0.9670(4) -0.4290(9) -0.0590(3) 0.045(2) Uani 1 1 d . . . . .
H73 H -0.966567 -0.358502 -0.039819 0.054 Uiso 1 1 calc R . . . .
C74 C -1.0277(4) -0.4965(8) -0.0782(4) 0.044(2) Uani 1 1 d . . . . .
C75 C -1.0265(5) -0.5974(9) -0.1070(5) 0.065(3) Uani 1 1 d . . . . .
H75 H -1.067818 -0.644619 -0.121303 0.078 Uiso 1 1 calc R . . . .
C76 C -0.9671(5) -0.6287(8) -0.1146(4) 0.056(3) Uani 1 1 d . . . . .
H76 H -0.967665 -0.698809 -0.133960 0.067 Uiso 1 1 calc R . . . .
C77 C -0.7934(4) -0.5176(8) -0.1088(3) 0.041(2) Uani 1 1 d . . . . .
H77 H -0.801288 -0.433979 -0.105021 0.049 Uiso 1 1 calc R . . . .
C78 C -0.7323(4) -0.5542(8) -0.1179(3) 0.043(2) Uani 1 1 d . . . . .
H78 H -0.699487 -0.495423 -0.120249 0.051 Uiso 1 1 calc R . . . .
B21 B -0.6050(5) -0.6120(10) -0.1507(3) 0.040(2) Uani 1 1 d . . . . .
H21A H -0.613098 -0.511538 -0.151494 0.047 Uiso 1 1 d R . . . .
B22 B -0.5788(5) -0.6891(10) -0.1953(3) 0.041(2) Uani 1 1 d . . . . .
H22 H -0.569860 -0.637508 -0.226250 0.049 Uiso 1 1 d R . . . .
B23 B -0.6096(6) -0.8340(10) -0.2023(4) 0.043(2) Uani 1 1 d . . . . .
H23A H -0.621753 -0.881749 -0.238933 0.051 Uiso 1 1 d R . . . .
B24 B -0.6624(5) -0.8505(9) -0.1646(3) 0.035(2) Uani 1 1 d . . . . .
H24A H -0.711645 -0.906003 -0.176839 0.042 Uiso 1 1 d R . . . .
B25 B -0.6076(5) -0.8332(10) -0.1007(3) 0.041(2) Uani 1 1 d . . . . .
H25A H -0.618958 -0.882283 -0.070201 0.049 Uiso 1 1 d R . . . .
B26 B -0.5738(5) -0.6885(10) -0.0927(4) 0.042(2) Uani 1 1 d . . . . .
H26A H -0.562540 -0.639857 -0.056286 0.050 Uiso 1 1 d R . . . .
B27 B -0.5206(5) -0.6689(12) -0.1313(4) 0.052(3) Uani 1 1 d . . . . .
H27 H -0.472583 -0.610263 -0.120304 0.062 Uiso 1 1 d R . . . .
B28 B -0.5242(5) -0.8146(11) -0.1635(3) 0.044(3) Uani 1 1 d . . . . .
H28 H -0.478996 -0.849121 -0.173414 0.053 Uiso 1 1 d R . . . .
B29 B -0.5797(5) -0.9130(10) -0.1452(3) 0.042(2) Uani 1 1 d . . . . .
H29 H -0.573291 -1.013792 -0.143766 0.050 Uiso 1 1 d R . . . .
B30 B -0.5211(5) -0.8112(11) -0.0995(4) 0.043(2) Uani 1 1 d . . . . .
H30 H -0.474052 -0.845212 -0.068176 0.052 Uiso 1 1 d R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1 H1 0.8397 . ?
O1 C1 1.401(10) . ?
O2 H2 0.8398 . ?
O2 C22 1.380(9) . ?
C1 C2 1.379(14) . ?
C1 C6 1.401(13) . ?
C2 H2A 0.9500 . ?
C2 C3 1.380(11) . ?
C3 H3 0.9500 . ?
C3 C4 1.373(12) . ?
C4 C5 1.390(14) . ?
C4 C7 1.492(10) . ?
C5 H5 0.9500 . ?
C5 C6 1.367(12) . ?
C6 H6 0.9500 . ?
C7 C8 1.423(12) . ?
C7 C12 1.367(13) . ?
C8 H8 0.9500 . ?
C8 C9 1.363(10) . ?
C9 H9 0.9500 . ?
C9 C10 1.392(12) . ?
C10 C11 1.397(11) . ?
C10 C13 1.502(10) . ?
C11 H11 0.9500 . ?
C11 C12 1.383(10) . ?
C12 H12 0.9500 . ?
C13 C14 1.733(10) . ?
C13 B1 1.737(12) . ?
C13 B4 1.723(14) . ?
C13 B5 1.685(12) . ?
C13 B6 1.700(12) . ?
C14 C15 1.506(10) . ?
C14 B1 1.711(13) . ?
C14 B2 1.695(11) . ?
C14 B3 1.677(12) . ?
C14 B4 1.724(12) . ?
C15 C16 1.410(11) . ?
C15 C26 1.388(12) . ?
C16 H16 0.9500 . ?
C16 C17 1.368(10) . ?
C17 H17 0.9500 . ?
C17 C18 1.417(12) . ?
C18 C19 1.483(10) . ?
C18 C25 1.363(13) . ?
C19 C20 1.448(14) . ?
C19 C24 1.382(12) . ?
C20 H20 0.9500 . ?
C20 C21 1.377(13) . ?
C21 H21 0.9500 . ?
C21 C22 1.407(13) . ?
C22 C23 1.386(13) . ?
C23 H23 0.9500 . ?
C23 C24 1.393(11) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C25 C26 1.390(11) . ?
C26 H26 0.9500 . ?
B1 H1A 1.1203 . ?
B1 B2 1.759(13) . ?
B1 B6 1.796(12) . ?
B1 B7 1.771(11) . ?
B2 H2B 1.1196 . ?
B2 B3 1.779(18) . ?
B2 B7 1.763(13) . ?
B2 B10 1.775(13) . ?
B3 H3A 1.1194 . ?
B3 B4 1.779(12) . ?
B3 B9 1.805(13) . ?
B3 B10 1.789(14) . ?
B4 H4 1.1203 . ?
B4 B5 1.779(13) . ?
B4 B9 1.776(11) . ?
B5 H5A 1.1192 . ?
B5 B6 1.751(18) . ?
B5 B8 1.753(12) . ?
B5 B9 1.781(14) . ?
B6 H6A 1.1205 . ?
B6 B7 1.794(12) . ?
B6 B8 1.765(15) . ?
B7 H7 1.1200 . ?
B7 B8 1.770(15) . ?
B7 B10 1.756(17) . ?
B8 H8A 1.1201 . ?
B8 B9 1.746(17) . ?
B8 B10 1.770(15) . ?
B9 H9A 1.1204 . ?
B9 B10 1.756(14) . ?
B10 H10 1.1203 . ?
O5 H5B 0.8401 . ?
O5 C53 1.378(9) . ?
O6 H6B 0.8405 . ?
O6 C74 1.365(9) . ?
C53 C54 1.405(11) . ?
C53 C58 1.346(13) . ?
C54 H54 0.9500 . ?
C54 C55 1.352(11) . ?
C55 H55 0.9500 . ?
C55 C56 1.397(12) . ?
C56 C57 1.346(12) . ?
C56 C59 1.499(10) . ?
C57 H57 0.9500 . ?
C57 C58 1.394(12) . ?
C58 H58 0.9500 . ?
C59 C60 1.391(11) . ?
C59 C64 1.396(12) . ?
C60 H60 0.9500 . ?
C60 C61 1.402(11) . ?
C61 H61 0.9500 . ?
C61 C62 1.370(12) . ?
C62 C63 1.372(11) . ?
C62 C65 1.520(10) . ?
C63 H63 0.9500 . ?
C63 C64 1.399(11) . ?
C64 H64 0.9500 . ?
C65 C66 1.725(11) . ?
C65 B21 1.778(14) . ?
C65 B22 1.653(12) . ?
C65 B23 1.661(13) . ?
C65 B24 1.687(13) . ?
C66 C67 1.536(10) . ?
C66 B21 1.759(13) . ?
C66 B24 1.685(13) . ?
C66 B25 1.661(12) . ?
C66 B26 1.696(13) . ?
C67 C68 1.363(11) . ?
C67 C78 1.353(11) . ?
C68 H68 0.9500 . ?
C68 C69 1.368(11) . ?
C69 H69 0.9500 . ?
C69 C70 1.418(12) . ?
C70 C71 1.486(10) . ?
C70 C77 1.373(11) . ?
C71 C72 1.378(11) . ?
C71 C76 1.373(12) . ?
C72 H72 0.9500 . ?
C72 C73 1.386(11) . ?
C73 H73 0.9500 . ?
C73 C74 1.380(12) . ?
C74 C75 1.391(13) . ?
C75 H75 0.9500 . ?
C75 C76 1.347(12) . ?
C76 H76 0.9500 . ?
C77 H77 0.9500 . ?
C77 C78 1.417(11) . ?
C78 H78 0.9500 . ?
B21 H21A 1.1204 . ?
B21 B22 1.767(13) . ?
B21 B26 1.768(14) . ?
B21 B27 1.726(14) . ?
B22 H22 1.1203 . ?
B22 B23 1.705(16) . ?
B22 B27 1.810(14) . ?
B22 B28 1.809(15) . ?
B23 H23A 1.1209 . ?
B23 B24 1.780(13) . ?
B23 B28 1.714(14) . ?
B23 B29 1.758(13) . ?
B24 H24A 1.1198 . ?
B24 B25 1.783(13) . ?
B24 B29 1.720(13) . ?
B25 H25A 1.1188 . ?
B25 B26 1.723(16) . ?
B25 B29 1.799(13) . ?
B25 B30 1.765(14) . ?
B26 H26A 1.1208 . ?
B26 B27 1.813(14) . ?
B26 B30 1.782(14) . ?
B27 H27 1.1203 . ?
B27 B28 1.843(18) . ?
B27 B30 1.818(16) . ?
B28 H28 1.1205 . ?
B28 B29 1.774(15) . ?
B28 B30 1.811(14) . ?
B29 H29 1.1196 . ?
B29 B30 1.816(15) . ?
B30 H30 1.1199 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 O1 H1 107.9 . . ?
C22 O2 H2 107.2 . . ?
O1 C1 C6 118.7(9) . . ?
C2 C1 O1 121.2(8) . . ?
C2 C1 C6 120.0(8) . . ?
C1 C2 H2A 120.3 . . ?
C1 C2 C3 119.4(9) . . ?
C3 C2 H2A 120.3 . . ?
C2 C3 H3 119.4 . . ?
C4 C3 C2 121.1(9) . . ?
C4 C3 H3 119.5 . . ?
C3 C4 C5 119.2(7) . . ?
C3 C4 C7 119.7(8) . . ?
C5 C4 C7 120.9(8) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 C4 120.7(9) . . ?
C6 C5 H5 119.6 . . ?
C1 C6 H6 120.3 . . ?
C5 C6 C1 119.4(10) . . ?
C5 C6 H6 120.3 . . ?
C8 C7 C4 117.9(8) . . ?
C12 C7 C4 125.0(8) . . ?
C12 C7 C8 117.1(7) . . ?
C7 C8 H8 119.4 . . ?
C9 C8 C7 121.2(9) . . ?
C9 C8 H8 119.4 . . ?
C8 C9 H9 119.4 . . ?
C8 C9 C10 121.1(8) . . ?
C10 C9 H9 119.4 . . ?
C9 C10 C11 117.9(7) . . ?
C9 C10 C13 120.7(7) . . ?
C11 C10 C13 121.3(8) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 C10 120.5(9) . . ?
C12 C11 H11 119.7 . . ?
C7 C12 C11 122.1(8) . . ?
C7 C12 H12 119.0 . . ?
C11 C12 H12 118.9 . . ?
C10 C13 C14 118.7(5) . . ?
C10 C13 B1 116.3(7) . . ?
C10 C13 B4 119.4(7) . . ?
C10 C13 B5 123.1(6) . . ?
C10 C13 B6 120.7(7) . . ?
B1 C13 C14 59.1(5) . . ?
B4 C13 C14 59.9(5) . . ?
B4 C13 B1 110.8(6) . . ?
B5 C13 C14 109.7(6) . . ?
B5 C13 B1 113.2(6) . . ?
B5 C13 B4 62.9(5) . . ?
B5 C13 B6 62.3(6) . . ?
B6 C13 C14 109.6(6) . . ?
B6 C13 B1 63.0(5) . . ?
B6 C13 B4 113.5(6) . . ?
C15 C14 C13 118.4(5) . . ?
C15 C14 B1 117.1(6) . . ?
C15 C14 B2 121.0(6) . . ?
C15 C14 B3 120.7(7) . . ?
C15 C14 B4 117.9(6) . . ?
B1 C14 C13 60.6(5) . . ?
B1 C14 B4 112.0(6) . . ?
B2 C14 C13 110.3(6) . . ?
B2 C14 B1 62.2(5) . . ?
B2 C14 B4 114.3(6) . . ?
B3 C14 C13 110.9(6) . . ?
B3 C14 B1 114.6(6) . . ?
B3 C14 B2 63.7(6) . . ?
B3 C14 B4 63.1(5) . . ?
B4 C14 C13 59.8(5) . . ?
C16 C15 C14 120.5(7) . . ?
C26 C15 C14 122.5(7) . . ?
C26 C15 C16 117.0(7) . . ?
C15 C16 H16 119.4 . . ?
C17 C16 C15 121.1(8) . . ?
C17 C16 H16 119.4 . . ?
C16 C17 H17 119.3 . . ?
C16 C17 C18 121.4(8) . . ?
C18 C17 H17 119.3 . . ?
C17 C18 C19 119.0(8) . . ?
C25 C18 C17 117.1(7) . . ?
C25 C18 C19 123.8(8) . . ?
C20 C19 C18 121.1(8) . . ?
C24 C19 C18 122.6(8) . . ?
C24 C19 C20 116.0(7) . . ?
C19 C20 H20 118.7 . . ?
C21 C20 C19 122.5(9) . . ?
C21 C20 H20 118.8 . . ?
C20 C21 H21 120.5 . . ?
C20 C21 C22 119.0(9) . . ?
C22 C21 H21 120.5 . . ?
O2 C22 C21 120.2(8) . . ?
C23 C22 O2 120.3(8) . . ?
C23 C22 C21 119.5(8) . . ?
C22 C23 H23 119.6 . . ?
C22 C23 C24 120.9(8) . . ?
C24 C23 H23 119.6 . . ?
C19 C24 C23 122.1(8) . . ?
C19 C24 H24 119.0 . . ?
C23 C24 H24 119.0 . . ?
C18 C25 H25 119.0 . . ?
C18 C25 C26 122.0(9) . . ?
C26 C25 H25 119.0 . . ?
C15 C26 C25 121.4(9) . . ?
C15 C26 H26 119.3 . . ?
C25 C26 H26 119.3 . . ?
C13 B1 H1A 122.9 . . ?
C13 B1 B2 107.2(7) . . ?
C13 B1 B6 57.5(5) . . ?
C13 B1 B7 104.8(7) . . ?
C14 B1 C13 60.3(5) . . ?
C14 B1 H1A 124.5 . . ?
C14 B1 B2 58.5(5) . . ?
C14 B1 B6 106.2(7) . . ?
C14 B1 B7 104.8(7) . . ?
B2 B1 H1A 122.4 . . ?
B2 B1 B6 108.9(7) . . ?
B2 B1 B7 59.9(5) . . ?
B6 B1 H1A 120.6 . . ?
B7 B1 H1A 122.9 . . ?
B7 B1 B6 60.4(5) . . ?
C14 B2 B1 59.4(5) . . ?
C14 B2 H2B 123.8 . . ?
C14 B2 B3 57.7(5) . . ?
C14 B2 B7 105.8(6) . . ?
C14 B2 B10 104.5(7) . . ?
B1 B2 H2B 123.0 . . ?
B1 B2 B3 107.4(6) . . ?
B1 B2 B7 60.4(5) . . ?
B1 B2 B10 107.5(6) . . ?
B3 B2 H2B 119.9 . . ?
B7 B2 H2B 123.4 . . ?
B7 B2 B3 108.2(7) . . ?
B7 B2 B10 59.5(6) . . ?
B10 B2 H2B 122.1 . . ?
B10 B2 B3 60.4(6) . . ?
C14 B3 B2 58.7(5) . . ?
C14 B3 H3A 123.5 . . ?
C14 B3 B4 59.8(5) . . ?
C14 B3 B9 105.2(7) . . ?
C14 B3 B10 104.7(8) . . ?
B2 B3 H3A 122.5 . . ?
B2 B3 B9 106.5(8) . . ?
B2 B3 B10 59.7(6) . . ?
B4 B3 B2 107.7(7) . . ?
B4 B3 H3A 121.1 . . ?
B4 B3 B9 59.4(5) . . ?
B4 B3 B10 106.2(7) . . ?
B9 B3 H3A 123.1 . . ?
B10 B3 H3A 124.0 . . ?
B10 B3 B9 58.5(5) . . ?
C13 B4 B3 106.6(7) . . ?
C13 B4 H4 123.1 . . ?
C13 B4 B5 57.5(5) . . ?
C13 B4 B9 104.8(7) . . ?
C14 B4 C13 60.4(5) . . ?
C14 B4 B3 57.2(5) . . ?
C14 B4 H4 124.1 . . ?
C14 B4 B5 105.9(7) . . ?
C14 B4 B9 104.5(6) . . ?
B3 B4 H4 121.8 . . ?
B3 B4 B5 109.2(7) . . ?
B3 B4 B9 61.0(5) . . ?
B5 B4 H4 121.7 . . ?
B9 B4 H4 123.2 . . ?
B9 B4 B5 60.1(5) . . ?
C13 B5 B4 59.6(5) . . ?
C13 B5 H5A 124.7 . . ?
C13 B5 B6 59.3(5) . . ?
C13 B5 B8 106.1(7) . . ?
C13 B5 B9 106.1(6) . . ?
B4 B5 H5A 122.4 . . ?
B4 B5 B9 59.9(5) . . ?
B6 B5 B4 108.4(6) . . ?
B6 B5 H5A 121.1 . . ?
B6 B5 B8 60.5(6) . . ?
B6 B5 B9 108.1(7) . . ?
B8 B5 B4 107.3(6) . . ?
B8 B5 H5A 121.1 . . ?
B8 B5 B9 59.2(6) . . ?
B9 B5 H5A 121.5 . . ?
C13 B6 B1 59.5(5) . . ?
C13 B6 B5 58.4(5) . . ?
C13 B6 H6A 123.5 . . ?
C13 B6 B7 105.4(6) . . ?
C13 B6 B8 104.9(8) . . ?
B1 B6 H6A 121.0 . . ?
B1 B6 B7 59.1(5) . . ?
B5 B6 B1 107.3(7) . . ?
B5 B6 H6A 122.8 . . ?
B5 B6 B7 107.5(8) . . ?
B5 B6 B8 59.8(6) . . ?
B7 B6 H6A 122.3 . . ?
B8 B6 B1 106.6(7) . . ?
B8 B6 H6A 123.9 . . ?
B8 B6 B7 59.6(6) . . ?
B1 B7 B6 60.5(5) . . ?
B1 B7 H7 120.7 . . ?
B1 B7 B8 107.5(7) . . ?
B2 B7 B1 59.7(5) . . ?
B2 B7 B6 108.8(6) . . ?
B2 B7 H7 119.7 . . ?
B2 B7 B8 108.7(8) . . ?
B6 B7 H7 122.0 . . ?
B8 B7 B6 59.4(6) . . ?
B8 B7 H7 123.5 . . ?
B10 B7 B1 107.8(7) . . ?
B10 B7 B2 60.6(6) . . ?
B10 B7 B6 108.1(8) . . ?
B10 B7 H7 122.0 . . ?
B10 B7 B8 60.2(6) . . ?
B5 B8 B6 59.7(6) . . ?
B5 B8 B7 108.4(6) . . ?
B5 B8 H8A 121.2 . . ?
B5 B8 B10 108.8(7) . . ?
B6 B8 B7 61.0(5) . . ?
B6 B8 H8A 120.5 . . ?
B6 B8 B10 108.8(7) . . ?
B7 B8 H8A 121.4 . . ?
B7 B8 B10 59.5(6) . . ?
B9 B8 B5 61.2(6) . . ?
B9 B8 B6 109.0(6) . . ?
B9 B8 B7 107.9(7) . . ?
B9 B8 H8A 121.8 . . ?
B9 B8 B10 59.9(6) . . ?
B10 B8 H8A 121.9 . . ?
B3 B9 H9A 119.5 . . ?
B4 B9 B3 59.6(5) . . ?
B4 B9 B5 60.0(5) . . ?
B4 B9 H9A 121.3 . . ?
B5 B9 B3 108.0(6) . . ?
B5 B9 H9A 123.4 . . ?
B8 B9 B3 108.7(8) . . ?
B8 B9 B4 107.8(8) . . ?
B8 B9 B5 59.6(6) . . ?
B8 B9 H9A 123.2 . . ?
B8 B9 B10 60.7(6) . . ?
B10 B9 B3 60.3(6) . . ?
B10 B9 B4 107.8(7) . . ?
B10 B9 B5 108.2(9) . . ?
B10 B9 H9A 120.9 . . ?
B2 B10 B3 59.9(6) . . ?
B2 B10 B8 108.2(7) . . ?
B2 B10 H10 122.0 . . ?
B3 B10 H10 122.4 . . ?
B7 B10 B2 59.9(6) . . ?
B7 B10 B3 108.0(7) . . ?
B7 B10 B8 60.3(6) . . ?
B7 B10 B9 108.1(7) . . ?
B7 B10 H10 120.9 . . ?
B8 B10 B3 108.4(6) . . ?
B8 B10 H10 120.8 . . ?
B9 B10 B2 108.8(6) . . ?
B9 B10 B3 61.2(5) . . ?
B9 B10 B8 59.4(6) . . ?
B9 B10 H10 121.5 . . ?
C53 O5 H5B 108.1 . . ?
C74 O6 H6B 110.4 . . ?
O5 C53 C54 120.0(7) . . ?
C58 C53 O5 121.6(7) . . ?
C58 C53 C54 118.3(8) . . ?
C53 C54 H54 120.0 . . ?
C55 C54 C53 120.0(8) . . ?
C55 C54 H54 120.0 . . ?
C54 C55 H55 119.4 . . ?
C54 C55 C56 121.2(8) . . ?
C56 C55 H55 119.4 . . ?
C55 C56 C59 120.5(7) . . ?
C57 C56 C55 118.3(7) . . ?
C57 C56 C59 121.2(8) . . ?
C56 C57 H57 119.6 . . ?
C56 C57 C58 120.7(9) . . ?
C58 C57 H57 119.6 . . ?
C53 C58 C57 121.2(8) . . ?
C53 C58 H58 119.4 . . ?
C57 C58 H58 119.4 . . ?
C60 C59 C56 122.0(7) . . ?
C60 C59 C64 119.0(7) . . ?
C64 C59 C56 119.0(7) . . ?
C59 C60 H60 119.8 . . ?
C59 C60 C61 120.3(8) . . ?
C61 C60 H60 119.8 . . ?
C60 C61 H61 119.2 . . ?
C62 C61 C60 121.6(8) . . ?
C62 C61 H61 119.2 . . ?
C61 C62 C63 116.8(7) . . ?
C61 C62 C65 124.2(7) . . ?
C63 C62 C65 118.6(7) . . ?
C62 C63 H63 118.0 . . ?
C62 C63 C64 124.0(7) . . ?
C64 C63 H63 118.0 . . ?
C59 C64 H64 121.1 . . ?
C63 C64 C59 117.9(8) . . ?
C63 C64 H64 121.1 . . ?
C62 C65 C66 118.6(6) . . ?
C62 C65 B21 117.1(7) . . ?
C62 C65 B22 120.1(7) . . ?
C62 C65 B23 122.9(7) . . ?
C62 C65 B24 119.0(6) . . ?
C66 C65 B21 60.3(5) . . ?
B22 C65 C66 110.4(6) . . ?
B22 C65 B21 61.8(5) . . ?
B22 C65 B24 114.6(7) . . ?
B23 C65 C66 110.1(6) . . ?
B23 C65 B21 111.7(6) . . ?
B23 C65 B22 61.9(6) . . ?
B23 C65 B24 64.2(6) . . ?
B24 C65 C66 59.2(5) . . ?
B24 C65 B21 110.8(6) . . ?
C65 C66 B21 61.4(5) . . ?
C67 C66 C65 118.3(6) . . ?
C67 C66 B21 117.4(7) . . ?
C67 C66 B24 118.2(7) . . ?
C67 C66 B25 121.7(7) . . ?
C67 C66 B26 120.7(7) . . ?
B24 C66 C65 59.3(5) . . ?
B24 C66 B21 111.8(6) . . ?
B24 C66 B26 114.3(6) . . ?
B25 C66 C65 111.0(6) . . ?
B25 C66 B21 112.3(7) . . ?
B25 C66 B24 64.4(6) . . ?
B25 C66 B26 61.8(6) . . ?
B26 C66 C65 110.7(6) . . ?
B26 C66 B21 61.5(5) . . ?
C68 C67 C66 118.7(7) . . ?
C78 C67 C66 122.5(8) . . ?
C78 C67 C68 118.7(7) . . ?
C67 C68 H68 117.9 . . ?
C67 C68 C69 124.2(8) . . ?
C69 C68 H68 117.9 . . ?
C68 C69 H69 121.2 . . ?
C68 C69 C70 117.6(8) . . ?
C70 C69 H69 121.2 . . ?
C69 C70 C71 119.7(7) . . ?
C77 C70 C69 118.6(7) . . ?
C77 C70 C71 121.6(7) . . ?
C72 C71 C70 121.7(7) . . ?
C72 C71 C76 116.9(7) . . ?
C76 C71 C70 121.4(7) . . ?
C71 C72 H72 119.3 . . ?
C71 C72 C73 121.3(8) . . ?
C73 C72 H72 119.3 . . ?
C72 C73 H73 119.8 . . ?
C74 C73 C72 120.4(8) . . ?
C74 C73 H73 119.8 . . ?
O6 C74 C75 121.4(8) . . ?
C73 C74 O6 120.6(8) . . ?
C73 C74 C75 118.0(7) . . ?
C74 C75 H75 119.8 . . ?
C76 C75 C74 120.3(9) . . ?
C76 C75 H75 119.8 . . ?
C71 C76 H76 118.4 . . ?
C75 C76 C71 123.1(9) . . ?
C75 C76 H76 118.4 . . ?
C70 C77 H77 119.5 . . ?
C70 C77 C78 121.0(8) . . ?
C78 C77 H77 119.5 . . ?
C67 C78 C77 119.7(8) . . ?
C67 C78 H78 120.2 . . ?
C77 C78 H78 120.2 . . ?
C65 B21 H21A 127.0 . . ?
C66 B21 C65 58.4(5) . . ?
C66 B21 H21A 125.2 . . ?
C66 B21 B26 57.4(5) . . ?
B22 B21 C65 55.6(5) . . ?
B22 B21 C66 103.8(7) . . ?
B22 B21 H21A 122.9 . . ?
B22 B21 B26 110.4(7) . . ?
B26 B21 C65 105.0(7) . . ?
B26 B21 H21A 119.6 . . ?
B27 B21 C65 105.4(7) . . ?
B27 B21 C66 106.3(7) . . ?
B27 B21 H21A 119.4 . . ?
B27 B21 B22 62.4(6) . . ?
B27 B21 B26 62.5(6) . . ?
C65 B22 B21 62.6(6) . . ?
C65 B22 H22 123.7 . . ?
C65 B22 B23 59.2(6) . . ?
C65 B22 B27 107.1(6) . . ?
C65 B22 B28 104.9(7) . . ?
B21 B22 H22 120.0 . . ?
B21 B22 B27 57.7(5) . . ?
B21 B22 B28 107.1(6) . . ?
B23 B22 B21 110.2(7) . . ?
B23 B22 H22 122.7 . . ?
B23 B22 B27 108.4(7) . . ?
B23 B22 B28 58.3(6) . . ?
B27 B22 H22 120.4 . . ?
B27 B22 B28 61.2(6) . . ?
B28 B22 H22 123.0 . . ?
C65 B23 B22 58.8(5) . . ?
C65 B23 H23A 123.0 . . ?
C65 B23 B24 58.6(5) . . ?
C65 B23 B28 108.9(8) . . ?
C65 B23 B29 105.7(7) . . ?
B22 B23 H23A 120.0 . . ?
B22 B23 B24 107.5(7) . . ?
B22 B23 B28 63.9(7) . . ?
B22 B23 B29 111.4(7) . . ?
B24 B23 H23A 122.6 . . ?
B28 B23 H23A 120.1 . . ?
B28 B23 B24 108.2(7) . . ?
B28 B23 B29 61.4(6) . . ?
B29 B23 H23A 121.7 . . ?
B29 B23 B24 58.2(5) . . ?
C65 B24 C66 61.5(5) . . ?
C65 B24 B23 57.2(5) . . ?
C65 B24 H24A 121.0 . . ?
C65 B24 B25 107.0(7) . . ?
C65 B24 B29 106.2(7) . . ?
C66 B24 B23 106.5(7) . . ?
C66 B24 H24A 122.1 . . ?
C66 B24 B25 57.1(5) . . ?
C66 B24 B29 106.8(7) . . ?
B23 B24 H24A 122.1 . . ?
B23 B24 B25 108.5(7) . . ?
B25 B24 H24A 123.1 . . ?
B29 B24 B23 60.3(5) . . ?
B29 B24 H24A 123.1 . . ?
B29 B24 B25 61.8(5) . . ?
C66 B25 B24 58.4(5) . . ?
C66 B25 H25A 124.0 . . ?
C66 B25 B26 60.1(6) . . ?
C66 B25 B29 104.3(6) . . ?
C66 B25 B30 107.1(7) . . ?
B24 B25 H25A 121.4 . . ?
B26 B25 B24 108.2(7) . . ?
B26 B25 H25A 121.9 . . ?
B26 B25 B29 109.8(7) . . ?
B26 B25 B30 61.4(6) . . ?
B29 B25 B24 57.4(5) . . ?
B29 B25 H25A 121.2 . . ?
B30 B25 B24 107.1(6) . . ?
B30 B25 H25A 122.0 . . ?
B30 B25 B29 61.2(6) . . ?
C66 B26 B21 61.0(6) . . ?
C66 B26 B25 58.1(6) . . ?
C66 B26 H26A 124.1 . . ?
C66 B26 B27 105.3(7) . . ?
C66 B26 B30 104.9(7) . . ?
B21 B26 H26A 122.1 . . ?
B21 B26 B27 57.6(5) . . ?
B21 B26 B30 106.9(7) . . ?
B25 B26 B21 108.9(7) . . ?
B25 B26 H26A 120.6 . . ?
B25 B26 B27 109.0(7) . . ?
B25 B26 B30 60.4(6) . . ?
B27 B26 H26A 122.6 . . ?
B30 B26 H26A 122.1 . . ?
B30 B26 B27 60.8(6) . . ?
B21 B27 B22 59.9(5) . . ?
B21 B27 B26 59.9(6) . . ?
B21 B27 H27 123.3 . . ?
B21 B27 B28 107.3(8) . . ?
B21 B27 B30 107.1(7) . . ?
B22 B27 H27 123.3 . . ?
B22 B27 B28 59.4(6) . . ?
B22 B27 B30 106.4(8) . . ?
B26 B27 B22 106.5(7) . . ?
B26 B27 H27 123.2 . . ?
B26 B27 B28 105.9(8) . . ?
B26 B27 B30 58.8(6) . . ?
B28 B27 H27 121.4 . . ?
B30 B27 H27 121.3 . . ?
B30 B27 B28 59.3(6) . . ?
B22 B28 B27 59.4(6) . . ?
B22 B28 H28 123.1 . . ?
B22 B28 B30 106.8(7) . . ?
B23 B28 B22 57.8(6) . . ?
B23 B28 B27 106.6(7) . . ?
B23 B28 H28 121.9 . . ?
B23 B28 B29 60.5(6) . . ?
B23 B28 B30 108.7(7) . . ?
B27 B28 H28 122.2 . . ?
B29 B28 B22 106.0(7) . . ?
B29 B28 B27 107.7(7) . . ?
B29 B28 H28 122.1 . . ?
B29 B28 B30 60.8(6) . . ?
B30 B28 B27 59.7(6) . . ?
B30 B28 H28 121.7 . . ?
B23 B29 B25 108.7(7) . . ?
B23 B29 B28 58.1(6) . . ?
B23 B29 H29 121.7 . . ?
B23 B29 B30 106.6(8) . . ?
B24 B29 B23 61.5(6) . . ?
B24 B29 B25 60.8(5) . . ?
B24 B29 B28 108.2(7) . . ?
B24 B29 H29 119.9 . . ?
B24 B29 B30 107.6(7) . . ?
B25 B29 H29 121.5 . . ?
B25 B29 B30 58.4(6) . . ?
B28 B29 B25 107.5(8) . . ?
B28 B29 H29 122.9 . . ?
B28 B29 B30 60.6(6) . . ?
B30 B29 H29 123.4 . . ?
B25 B30 B26 58.1(6) . . ?
B25 B30 B27 106.9(7) . . ?
B25 B30 B28 107.4(7) . . ?
B25 B30 B29 60.3(5) . . ?
B25 B30 H30 122.4 . . ?
B26 B30 B27 60.5(6) . . ?
B26 B30 B28 108.6(7) . . ?
B26 B30 B29 106.4(7) . . ?
B26 B30 H30 123.1 . . ?
B27 B30 B29 107.0(7) . . ?
B27 B30 H30 122.3 . . ?
B28 B30 B27 61.0(6) . . ?
B28 B30 B29 58.6(6) . . ?
B28 B30 H30 121.0 . . ?
B29 B30 H30 121.8 . . ?

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
O1 C1 C2 C3 179.4(7) . . . . ?
O1 C1 C6 C5 179.6(9) . . . . ?
O2 C22 C23 C24 178.1(7) . . . . ?
C1 C2 C3 C4 -1.4(14) . . . . ?
C2 C1 C6 C5 -4.5(16) . . . . ?
C2 C3 C4 C5 0.2(13) . . . . ?
C2 C3 C4 C7 176.0(8) . . . . ?
C3 C4 C5 C6 -1.2(15) . . . . ?
C3 C4 C7 C8 -139.6(8) . . . . ?
C3 C4 C7 C12 38.9(12) . . . . ?
C4 C5 C6 C1 3.3(16) . . . . ?
C4 C7 C8 C9 179.9(7) . . . . ?
C4 C7 C12 C11 179.8(8) . . . . ?
C5 C4 C7 C8 36.1(11) . . . . ?
C5 C4 C7 C12 -145.4(10) . . . . ?
C6 C1 C2 C3 3.5(14) . . . . ?
C7 C4 C5 C6 -176.9(9) . . . . ?
C7 C8 C9 C10 0.9(12) . . . . ?
C8 C7 C12 C11 -1.7(12) . . . . ?
C8 C9 C10 C11 -2.5(12) . . . . ?
C8 C9 C10 C13 -179.1(7) . . . . ?
C9 C10 C11 C12 2.1(12) . . . . ?
C9 C10 C13 C14 -95.2(9) . . . . ?
C9 C10 C13 B1 -27.7(10) . . . . ?
C9 C10 C13 B4 -164.8(7) . . . . ?
C9 C10 C13 B5 120.1(9) . . . . ?
C9 C10 C13 B6 45.1(10) . . . . ?
C10 C11 C12 C7 0.0(13) . . . . ?
C10 C13 C14 C15 -1.8(11) . . . . ?
C10 C13 C14 B1 105.1(8) . . . . ?
C10 C13 C14 B2 143.8(7) . . . . ?
C10 C13 C14 B3 -147.6(8) . . . . ?
C10 C13 C14 B4 -109.2(8) . . . . ?
C10 C13 B1 C14 -109.2(7) . . . . ?
C10 C13 B1 B2 -145.4(6) . . . . ?
C10 C13 B1 B6 112.8(8) . . . . ?
C10 C13 B1 B7 152.0(7) . . . . ?
C10 C13 B4 C14 108.1(7) . . . . ?
C10 C13 B4 B3 142.9(6) . . . . ?
C10 C13 B4 B5 -114.6(7) . . . . ?
C10 C13 B4 B9 -153.4(6) . . . . ?
C10 C13 B5 B4 108.9(8) . . . . ?
C10 C13 B5 B6 -110.2(8) . . . . ?
C10 C13 B5 B8 -150.1(8) . . . . ?
C10 C13 B5 B9 148.0(8) . . . . ?
C10 C13 B6 B1 -106.0(8) . . . . ?
C10 C13 B6 B5 113.9(8) . . . . ?
C10 C13 B6 B7 -144.8(8) . . . . ?
C10 C13 B6 B8 153.2(7) . . . . ?
C11 C10 C13 C14 88.4(9) . . . . ?
C11 C10 C13 B1 155.9(7) . . . . ?
C11 C10 C13 B4 18.8(10) . . . . ?
C11 C10 C13 B5 -56.3(11) . . . . ?
C11 C10 C13 B6 -131.3(8) . . . . ?
C12 C7 C8 C9 1.2(12) . . . . ?
C13 C10 C11 C12 178.7(7) . . . . ?
C13 C14 C15 C16 95.9(8) . . . . ?
C13 C14 C15 C26 -86.1(9) . . . . ?
C13 C14 B1 B2 138.5(6) . . . . ?
C13 C14 B1 B6 36.0(5) . . . . ?
C13 C14 B1 B7 98.8(6) . . . . ?
C13 C14 B2 B1 -38.0(6) . . . . ?
C13 C14 B2 B3 103.9(7) . . . . ?
C13 C14 B2 B7 2.1(9) . . . . ?
C13 C14 B2 B10 64.0(8) . . . . ?
C13 C14 B3 B2 -103.1(6) . . . . ?
C13 C14 B3 B4 37.0(6) . . . . ?
C13 C14 B3 B9 -2.7(9) . . . . ?
C13 C14 B3 B10 -63.5(8) . . . . ?
C13 C14 B4 B3 -139.4(7) . . . . ?
C13 C14 B4 B5 -36.4(5) . . . . ?
C13 C14 B4 B9 -99.0(7) . . . . ?
C13 B1 B2 C14 37.1(5) . . . . ?
C13 B1 B2 B3 4.0(7) . . . . ?
C13 B1 B2 B7 -97.5(7) . . . . ?
C13 B1 B2 B10 -59.8(8) . . . . ?
C13 B1 B6 B5 34.9(5) . . . . ?
C13 B1 B6 B7 135.3(8) . . . . ?
C13 B1 B6 B8 97.8(8) . . . . ?
C13 B1 B7 B2 101.6(7) . . . . ?
C13 B1 B7 B6 -37.9(7) . . . . ?
C13 B1 B7 B8 -0.3(9) . . . . ?
C13 B1 B7 B10 63.3(8) . . . . ?
C13 B4 B5 B6 -34.9(5) . . . . ?
C13 B4 B5 B8 -98.8(8) . . . . ?
C13 B4 B5 B9 -135.6(7) . . . . ?
C13 B4 B9 B3 -101.1(8) . . . . ?
C13 B4 B9 B5 37.6(6) . . . . ?
C13 B4 B9 B8 0.6(8) . . . . ?
C13 B4 B9 B10 -63.5(8) . . . . ?
C13 B5 B6 B1 -35.4(5) . . . . ?
C13 B5 B6 B7 -97.6(6) . . . . ?
C13 B5 B6 B8 -134.9(7) . . . . ?
C13 B5 B8 B6 39.3(6) . . . . ?
C13 B5 B8 B7 1.2(9) . . . . ?
C13 B5 B8 B9 -99.5(7) . . . . ?
C13 B5 B8 B10 -61.9(9) . . . . ?
C13 B5 B9 B3 -2.2(10) . . . . ?
C13 B5 B9 B4 -38.9(7) . . . . ?
C13 B5 B9 B8 99.4(8) . . . . ?
C13 B5 B9 B10 61.6(8) . . . . ?
C13 B6 B7 B1 38.9(7) . . . . ?
C13 B6 B7 B2 2.6(11) . . . . ?
C13 B6 B7 B8 -98.5(8) . . . . ?
C13 B6 B7 B10 -61.7(8) . . . . ?
C13 B6 B8 B5 -38.6(6) . . . . ?
C13 B6 B8 B7 99.3(7) . . . . ?
C13 B6 B8 B9 -1.1(8) . . . . ?
C13 B6 B8 B10 62.7(8) . . . . ?
C14 C13 B1 B2 -36.2(5) . . . . ?
C14 C13 B1 B6 -138.0(7) . . . . ?
C14 C13 B1 B7 -98.8(7) . . . . ?
C14 C13 B4 B3 34.8(5) . . . . ?
C14 C13 B4 B5 137.4(6) . . . . ?
C14 C13 B4 B9 98.5(6) . . . . ?
C14 C13 B5 B4 -38.5(6) . . . . ?
C14 C13 B5 B6 102.4(6) . . . . ?
C14 C13 B5 B8 62.5(8) . . . . ?
C14 C13 B5 B9 0.6(9) . . . . ?
C14 C13 B6 B1 37.5(6) . . . . ?
C14 C13 B6 B5 -102.6(7) . . . . ?
C14 C13 B6 B7 -1.2(10) . . . . ?
C14 C13 B6 B8 -63.3(8) . . . . ?
C14 C15 C16 C17 178.4(7) . . . . ?
C14 C15 C26 C25 -179.0(7) . . . . ?
C14 B1 B2 B3 -33.1(5) . . . . ?
C14 B1 B2 B7 -134.5(7) . . . . ?
C14 B1 B2 B10 -96.8(7) . . . . ?
C14 B1 B6 C13 -37.2(5) . . . . ?
C14 B1 B6 B5 -2.3(7) . . . . ?
C14 B1 B6 B7 98.1(7) . . . . ?
C14 B1 B6 B8 60.5(7) . . . . ?
C14 B1 B7 B2 38.9(6) . . . . ?
C14 B1 B7 B6 -100.5(7) . . . . ?
C14 B1 B7 B8 -62.9(8) . . . . ?
C14 B1 B7 B10 0.7(8) . . . . ?
C14 B2 B3 B4 -35.6(5) . . . . ?
C14 B2 B3 B9 -98.0(6) . . . . ?
C14 B2 B3 B10 -134.4(7) . . . . ?
C14 B2 B7 B1 -39.6(6) . . . . ?
C14 B2 B7 B6 -2.9(10) . . . . ?
C14 B2 B7 B8 60.2(8) . . . . ?
C14 B2 B7 B10 97.8(7) . . . . ?
C14 B2 B10 B3 38.6(6) . . . . ?
C14 B2 B10 B7 -100.1(7) . . . . ?
C14 B2 B10 B8 -62.6(9) . . . . ?
C14 B2 B10 B9 0.4(10) . . . . ?
C14 B3 B4 C13 -36.2(5) . . . . ?
C14 B3 B4 B5 -96.9(8) . . . . ?
C14 B3 B4 B9 -134.2(8) . . . . ?
C14 B3 B9 B4 39.9(7) . . . . ?
C14 B3 B9 B5 3.0(10) . . . . ?
C14 B3 B9 B8 -60.1(8) . . . . ?
C14 B3 B9 B10 -98.1(8) . . . . ?
C14 B3 B10 B2 -39.1(6) . . . . ?
C14 B3 B10 B7 -2.1(8) . . . . ?
C14 B3 B10 B8 61.7(9) . . . . ?
C14 B3 B10 B9 99.0(7) . . . . ?
C14 B4 B5 C13 37.7(5) . . . . ?
C14 B4 B5 B6 2.9(7) . . . . ?
C14 B4 B5 B8 -61.1(8) . . . . ?
C14 B4 B5 B9 -97.8(7) . . . . ?
C14 B4 B9 B3 -38.5(7) . . . . ?
C14 B4 B9 B5 100.3(8) . . . . ?
C14 B4 B9 B8 63.2(8) . . . . ?
C14 B4 B9 B10 -0.9(10) . . . . ?
C15 C14 B1 C13 108.9(6) . . . . ?
C15 C14 B1 B2 -112.6(7) . . . . ?
C15 C14 B1 B6 144.9(6) . . . . ?
C15 C14 B1 B7 -152.2(6) . . . . ?
C15 C14 B2 B1 106.5(8) . . . . ?
C15 C14 B2 B3 -111.5(8) . . . . ?
C15 C14 B2 B7 146.6(8) . . . . ?
C15 C14 B2 B10 -151.5(7) . . . . ?
C15 C14 B3 B2 112.0(8) . . . . ?
C15 C14 B3 B4 -107.9(8) . . . . ?
C15 C14 B3 B9 -147.7(7) . . . . ?
C15 C14 B3 B10 151.6(7) . . . . ?
C15 C14 B4 C13 -108.4(7) . . . . ?
C15 C14 B4 B3 112.3(8) . . . . ?
C15 C14 B4 B5 -144.8(6) . . . . ?
C15 C14 B4 B9 152.7(7) . . . . ?
C15 C16 C17 C18 1.2(11) . . . . ?
C16 C15 C26 C25 -0.9(12) . . . . ?
C16 C17 C18 C19 179.5(7) . . . . ?
C16 C17 C18 C25 -1.9(12) . . . . ?
C17 C18 C19 C20 -33.8(12) . . . . ?
C17 C18 C19 C24 140.1(9) . . . . ?
C17 C18 C25 C26 1.2(13) . . . . ?
C18 C19 C20 C21 176.6(9) . . . . ?
C18 C19 C24 C23 -175.1(8) . . . . ?
C18 C25 C26 C15 0.2(13) . . . . ?
C19 C18 C25 C26 179.7(7) . . . . ?
C19 C20 C21 C22 -3.1(16) . . . . ?
C20 C19 C24 C23 -1.0(13) . . . . ?
C20 C21 C22 O2 -176.8(9) . . . . ?
C20 C21 C22 C23 2.3(14) . . . . ?
C21 C22 C23 C24 -0.9(13) . . . . ?
C22 C23 C24 C19 0.3(13) . . . . ?
C24 C19 C20 C21 2.4(15) . . . . ?
C25 C18 C19 C20 147.7(9) . . . . ?
C25 C18 C19 C24 -38.4(12) . . . . ?
C26 C15 C16 C17 0.3(11) . . . . ?
B1 C13 C14 C15 -106.9(8) . . . . ?
B1 C13 C14 B2 38.7(6) . . . . ?
B1 C13 C14 B3 107.3(7) . . . . ?
B1 C13 C14 B4 145.7(6) . . . . ?
B1 C13 B4 C14 -31.2(5) . . . . ?
B1 C13 B4 B3 3.7(8) . . . . ?
B1 C13 B4 B5 106.2(6) . . . . ?
B1 C13 B4 B9 67.3(7) . . . . ?
B1 C13 B5 B4 -102.4(7) . . . . ?
B1 C13 B5 B6 38.5(6) . . . . ?
B1 C13 B5 B8 -1.4(9) . . . . ?
B1 C13 B5 B9 -63.3(9) . . . . ?
B1 C13 B6 B5 -140.1(7) . . . . ?
B1 C13 B6 B7 -38.8(7) . . . . ?
B1 C13 B6 B8 -100.8(7) . . . . ?
B1 C14 C15 C16 26.5(9) . . . . ?
B1 C14 C15 C26 -155.5(7) . . . . ?
B1 C14 B2 B3 141.9(6) . . . . ?
B1 C14 B2 B7 40.1(7) . . . . ?
B1 C14 B2 B10 102.0(7) . . . . ?
B1 C14 B3 B2 -36.9(6) . . . . ?
B1 C14 B3 B4 103.2(7) . . . . ?
B1 C14 B3 B9 63.5(9) . . . . ?
B1 C14 B3 B10 2.7(8) . . . . ?
B1 C14 B4 C13 32.0(5) . . . . ?
B1 C14 B4 B3 -107.4(7) . . . . ?
B1 C14 B4 B5 -4.5(7) . . . . ?
B1 C14 B4 B9 -67.0(8) . . . . ?
B1 B2 B3 C14 33.8(5) . . . . ?
B1 B2 B3 B4 -1.8(7) . . . . ?
B1 B2 B3 B9 -64.2(7) . . . . ?
B1 B2 B3 B10 -100.6(7) . . . . ?
B1 B2 B7 B6 36.7(7) . . . . ?
B1 B2 B7 B8 99.8(7) . . . . ?
B1 B2 B7 B10 137.4(7) . . . . ?
B1 B2 B10 B3 100.5(7) . . . . ?
B1 B2 B10 B7 -38.1(7) . . . . ?
B1 B2 B10 B8 -0.6(10) . . . . ?
B1 B2 B10 B9 62.3(10) . . . . ?
B1 B6 B7 B2 -36.4(7) . . . . ?
B1 B6 B7 B8 -137.4(8) . . . . ?
B1 B6 B7 B10 -100.6(7) . . . . ?
B1 B6 B8 B5 -100.7(7) . . . . ?
B1 B6 B8 B7 37.3(6) . . . . ?
B1 B6 B8 B9 -63.1(8) . . . . ?
B1 B6 B8 B10 0.6(9) . . . . ?
B1 B7 B8 B5 -0.6(10) . . . . ?
B1 B7 B8 B6 -38.1(7) . . . . ?
B1 B7 B8 B9 64.2(9) . . . . ?
B1 B7 B8 B10 100.9(8) . . . . ?
B1 B7 B10 B2 37.9(6) . . . . ?
B1 B7 B10 B3 0.9(9) . . . . ?
B1 B7 B10 B8 -100.4(7) . . . . ?
B1 B7 B10 B9 -63.9(8) . . . . ?
B2 C14 C15 C16 -45.8(10) . . . . ?
B2 C14 C15 C26 132.2(8) . . . . ?
B2 C14 B1 C13 -138.5(6) . . . . ?
B2 C14 B1 B6 -102.5(6) . . . . ?
B2 C14 B1 B7 -39.7(6) . . . . ?
B2 C14 B3 B4 140.1(6) . . . . ?
B2 C14 B3 B9 100.3(8) . . . . ?
B2 C14 B3 B10 39.6(6) . . . . ?
B2 C14 B4 C13 100.2(7) . . . . ?
B2 C14 B4 B3 -39.1(7) . . . . ?
B2 C14 B4 B5 63.8(8) . . . . ?
B2 C14 B4 B9 1.3(9) . . . . ?
B2 B1 B6 C13 -98.8(7) . . . . ?
B2 B1 B6 B5 -63.9(7) . . . . ?
B2 B1 B6 B7 36.5(7) . . . . ?
B2 B1 B6 B8 -1.0(9) . . . . ?
B2 B1 B7 B6 -139.4(8) . . . . ?
B2 B1 B7 B8 -101.8(8) . . . . ?
B2 B1 B7 B10 -38.3(7) . . . . ?
B2 B3 B4 C13 -1.1(7) . . . . ?
B2 B3 B4 C14 35.1(5) . . . . ?
B2 B3 B4 B5 -61.8(8) . . . . ?
B2 B3 B4 B9 -99.1(8) . . . . ?
B2 B3 B9 B4 101.1(7) . . . . ?
B2 B3 B9 B5 64.2(8) . . . . ?
B2 B3 B9 B8 1.1(8) . . . . ?
B2 B3 B9 B10 -36.9(6) . . . . ?
B2 B3 B10 B7 37.0(6) . . . . ?
B2 B3 B10 B8 100.8(8) . . . . ?
B2 B3 B10 B9 138.1(7) . . . . ?
B2 B7 B8 B5 -63.7(9) . . . . ?
B2 B7 B8 B6 -101.2(7) . . . . ?
B2 B7 B8 B9 1.1(8) . . . . ?
B2 B7 B8 B10 37.8(6) . . . . ?
B2 B7 B10 B3 -37.0(6) . . . . ?
B2 B7 B10 B8 -138.2(6) . . . . ?
B2 B7 B10 B9 -101.7(7) . . . . ?
B3 C14 C15 C16 -121.7(8) . . . . ?
B3 C14 C15 C26 56.4(10) . . . . ?
B3 C14 B1 C13 -101.0(6) . . . . ?
B3 C14 B1 B2 37.5(6) . . . . ?
B3 C14 B1 B6 -65.1(7) . . . . ?
B3 C14 B1 B7 -2.2(8) . . . . ?
B3 C14 B2 B1 -141.9(6) . . . . ?
B3 C14 B2 B7 -101.8(7) . . . . ?
B3 C14 B2 B10 -39.9(7) . . . . ?
B3 C14 B4 C13 139.4(7) . . . . ?
B3 C14 B4 B5 102.9(7) . . . . ?
B3 C14 B4 B9 40.4(7) . . . . ?
B3 B2 B7 B1 -100.1(6) . . . . ?
B3 B2 B7 B6 -63.4(9) . . . . ?
B3 B2 B7 B8 -0.4(8) . . . . ?
B3 B2 B7 B10 37.2(6) . . . . ?
B3 B2 B10 B7 -138.6(6) . . . . ?
B3 B2 B10 B8 -101.1(7) . . . . ?
B3 B2 B10 B9 -38.2(7) . . . . ?
B3 B4 B5 C13 97.9(8) . . . . ?
B3 B4 B5 B6 63.0(8) . . . . ?
B3 B4 B5 B8 -0.9(10) . . . . ?
B3 B4 B5 B9 -37.7(7) . . . . ?
B3 B4 B9 B5 138.7(9) . . . . ?
B3 B4 B9 B8 101.7(8) . . . . ?
B3 B4 B9 B10 37.6(8) . . . . ?
B3 B9 B10 B2 37.6(7) . . . . ?
B3 B9 B10 B7 101.1(7) . . . . ?
B3 B9 B10 B8 138.0(7) . . . . ?
B4 C13 C14 C15 107.4(8) . . . . ?
B4 C13 C14 B1 -145.7(6) . . . . ?
B4 C13 C14 B2 -107.0(7) . . . . ?
B4 C13 C14 B3 -38.4(7) . . . . ?
B4 C13 B1 C14 31.4(5) . . . . ?
B4 C13 B1 B2 -4.8(8) . . . . ?
B4 C13 B1 B6 -106.6(7) . . . . ?
B4 C13 B1 B7 -67.4(8) . . . . ?
B4 C13 B5 B6 140.9(6) . . . . ?
B4 C13 B5 B8 101.0(7) . . . . ?
B4 C13 B5 B9 39.1(7) . . . . ?
B4 C13 B6 B1 102.3(7) . . . . ?
B4 C13 B6 B5 -37.8(6) . . . . ?
B4 C13 B6 B7 63.5(9) . . . . ?
B4 C13 B6 B8 1.5(8) . . . . ?
B4 C14 C15 C16 164.7(7) . . . . ?
B4 C14 C15 C26 -17.2(10) . . . . ?
B4 C14 B1 C13 -31.7(5) . . . . ?
B4 C14 B1 B2 106.8(6) . . . . ?
B4 C14 B1 B6 4.3(7) . . . . ?
B4 C14 B1 B7 67.2(7) . . . . ?
B4 C14 B2 B1 -103.0(7) . . . . ?
B4 C14 B2 B3 38.9(6) . . . . ?
B4 C14 B2 B7 -62.9(9) . . . . ?
B4 C14 B2 B10 -1.0(9) . . . . ?
B4 C14 B3 B2 -140.1(6) . . . . ?
B4 C14 B3 B9 -39.7(7) . . . . ?
B4 C14 B3 B10 -100.5(7) . . . . ?
B4 B3 B9 B5 -36.9(7) . . . . ?
B4 B3 B9 B8 -100.0(8) . . . . ?
B4 B3 B9 B10 -138.1(9) . . . . ?
B4 B3 B10 B2 -101.3(7) . . . . ?
B4 B3 B10 B7 -64.4(9) . . . . ?
B4 B3 B10 B8 -0.6(10) . . . . ?
B4 B3 B10 B9 36.8(7) . . . . ?
B4 B5 B6 C13 35.0(5) . . . . ?
B4 B5 B6 B1 -0.4(7) . . . . ?
B4 B5 B6 B7 -62.6(7) . . . . ?
B4 B5 B6 B8 -99.9(7) . . . . ?
B4 B5 B8 B6 101.8(7) . . . . ?
B4 B5 B8 B7 63.7(9) . . . . ?
B4 B5 B8 B9 -37.0(7) . . . . ?
B4 B5 B8 B10 0.5(10) . . . . ?
B4 B5 B9 B3 36.7(7) . . . . ?
B4 B5 B9 B8 138.3(7) . . . . ?
B4 B5 B9 B10 100.5(7) . . . . ?
B4 B9 B10 B2 0.3(11) . . . . ?
B4 B9 B10 B3 -37.2(7) . . . . ?
B4 B9 B10 B7 63.8(9) . . . . ?
B4 B9 B10 B8 100.8(8) . . . . ?
B5 C13 C14 C15 147.3(7) . . . . ?
B5 C13 C14 B1 -105.8(7) . . . . ?
B5 C13 C14 B2 -67.2(8) . . . . ?
B5 C13 C14 B3 1.4(9) . . . . ?
B5 C13 C14 B4 39.8(6) . . . . ?
B5 C13 B1 C14 99.9(7) . . . . ?
B5 C13 B1 B2 63.6(8) . . . . ?
B5 C13 B1 B6 -38.2(7) . . . . ?
B5 C13 B1 B7 1.1(9) . . . . ?
B5 C13 B4 C14 -137.4(6) . . . . ?
B5 C13 B4 B3 -102.5(6) . . . . ?
B5 C13 B4 B9 -38.9(6) . . . . ?
B5 C13 B6 B1 140.1(7) . . . . ?
B5 C13 B6 B7 101.3(8) . . . . ?
B5 C13 B6 B8 39.3(6) . . . . ?
B5 B4 B9 B3 -138.7(9) . . . . ?
B5 B4 B9 B8 -37.0(7) . . . . ?
B5 B4 B9 B10 -101.2(9) . . . . ?
B5 B6 B7 B1 100.1(7) . . . . ?
B5 B6 B7 B2 63.7(8) . . . . ?
B5 B6 B7 B8 -37.4(6) . . . . ?
B5 B6 B7 B10 -0.5(7) . . . . ?
B5 B6 B8 B7 138.0(7) . . . . ?
B5 B6 B8 B9 37.6(6) . . . . ?
B5 B6 B8 B10 101.3(7) . . . . ?
B5 B8 B9 B3 100.3(7) . . . . ?
B5 B8 B9 B4 37.2(6) . . . . ?
B5 B8 B9 B10 138.1(7) . . . . ?
B5 B8 B10 B2 63.4(10) . . . . ?
B5 B8 B10 B3 0.0(10) . . . . ?
B5 B8 B10 B7 100.7(7) . . . . ?
B5 B8 B10 B9 -38.2(7) . . . . ?
B5 B9 B10 B2 -63.1(9) . . . . ?
B5 B9 B10 B3 -100.7(7) . . . . ?
B5 B9 B10 B7 0.4(8) . . . . ?
B5 B9 B10 B8 37.3(6) . . . . ?
B6 C13 C14 C15 -146.1(8) . . . . ?
B6 C13 C14 B1 -39.2(7) . . . . ?
B6 C13 C14 B2 -0.6(9) . . . . ?
B6 C13 C14 B3 68.0(9) . . . . ?
B6 C13 C14 B4 106.5(7) . . . . ?
B6 C13 B1 C14 138.0(7) . . . . ?
B6 C13 B1 B2 101.8(7) . . . . ?
B6 C13 B1 B7 39.2(7) . . . . ?
B6 C13 B4 C14 -99.8(6) . . . . ?
B6 C13 B4 B3 -65.0(7) . . . . ?
B6 C13 B4 B5 37.5(6) . . . . ?
B6 C13 B4 B9 -1.3(8) . . . . ?
B6 C13 B5 B4 -140.9(6) . . . . ?
B6 C13 B5 B8 -39.9(7) . . . . ?
B6 C13 B5 B9 -101.8(7) . . . . ?
B6 B1 B2 C14 97.8(7) . . . . ?
B6 B1 B2 B3 64.7(8) . . . . ?
B6 B1 B2 B7 -36.7(7) . . . . ?
B6 B1 B2 B10 1.0(9) . . . . ?
B6 B1 B7 B2 139.4(8) . . . . ?
B6 B1 B7 B8 37.6(7) . . . . ?
B6 B1 B7 B10 101.2(8) . . . . ?
B6 B5 B8 B7 -38.1(7) . . . . ?
B6 B5 B8 B9 -138.8(6) . . . . ?
B6 B5 B8 B10 -101.2(8) . . . . ?
B6 B5 B9 B3 -64.5(8) . . . . ?
B6 B5 B9 B4 -101.2(7) . . . . ?
B6 B5 B9 B8 37.1(6) . . . . ?
B6 B5 B9 B10 -0.7(8) . . . . ?
B6 B7 B8 B5 37.5(7) . . . . ?
B6 B7 B8 B9 102.3(7) . . . . ?
B6 B7 B8 B10 139.0(7) . . . . ?
B6 B7 B10 B2 101.8(6) . . . . ?
B6 B7 B10 B3 64.9(8) . . . . ?
B6 B7 B10 B8 -36.4(6) . . . . ?
B6 B7 B10 B9 0.1(8) . . . . ?
B6 B8 B9 B3 63.3(8) . . . . ?
B6 B8 B9 B4 0.3(9) . . . . ?
B6 B8 B9 B5 -36.9(6) . . . . ?
B6 B8 B9 B10 101.2(7) . . . . ?
B6 B8 B10 B2 0.0(10) . . . . ?
B6 B8 B10 B3 -63.4(10) . . . . ?
B6 B8 B10 B7 37.3(7) . . . . ?
B6 B8 B10 B9 -101.6(7) . . . . ?
B7 B1 B2 C14 134.5(7) . . . . ?
B7 B1 B2 B3 101.4(7) . . . . ?
B7 B1 B2 B10 37.7(7) . . . . ?
B7 B1 B6 C13 -135.3(8) . . . . ?
B7 B1 B6 B5 -100.4(8) . . . . ?
B7 B1 B6 B8 -37.5(7) . . . . ?
B7 B2 B3 C14 97.6(6) . . . . ?
B7 B2 B3 B4 62.0(7) . . . . ?
B7 B2 B3 B9 -0.4(7) . . . . ?
B7 B2 B3 B10 -36.8(6) . . . . ?
B7 B2 B10 B3 138.6(6) . . . . ?
B7 B2 B10 B8 37.5(7) . . . . ?
B7 B2 B10 B9 100.5(8) . . . . ?
B7 B6 B8 B5 -138.0(7) . . . . ?
B7 B6 B8 B9 -100.4(8) . . . . ?
B7 B6 B8 B10 -36.7(7) . . . . ?
B7 B8 B9 B3 -1.3(8) . . . . ?
B7 B8 B9 B4 -64.4(8) . . . . ?
B7 B8 B9 B5 -101.6(7) . . . . ?
B7 B8 B9 B10 36.5(6) . . . . ?
B7 B8 B10 B2 -37.3(6) . . . . ?
B7 B8 B10 B3 -100.7(7) . . . . ?
B7 B8 B10 B9 -138.9(7) . . . . ?
B8 B5 B6 C13 134.9(7) . . . . ?
B8 B5 B6 B1 99.5(7) . . . . ?
B8 B5 B6 B7 37.3(6) . . . . ?
B8 B5 B9 B3 -101.6(8) . . . . ?
B8 B5 B9 B4 -138.3(7) . . . . ?
B8 B5 B9 B10 -37.8(6) . . . . ?
B8 B6 B7 B1 137.4(8) . . . . ?
B8 B6 B7 B2 101.1(9) . . . . ?
B8 B6 B7 B10 36.8(6) . . . . ?
B8 B7 B10 B2 138.2(6) . . . . ?
B8 B7 B10 B3 101.3(7) . . . . ?
B8 B7 B10 B9 36.5(6) . . . . ?
B8 B9 B10 B2 -100.4(8) . . . . ?
B8 B9 B10 B3 -138.0(7) . . . . ?
B8 B9 B10 B7 -36.9(6) . . . . ?
B9 B3 B4 C13 98.0(8) . . . . ?
B9 B3 B4 C14 134.2(8) . . . . ?
B9 B3 B4 B5 37.3(8) . . . . ?
B9 B3 B10 B2 -138.1(7) . . . . ?
B9 B3 B10 B7 -101.2(8) . . . . ?
B9 B3 B10 B8 -37.3(7) . . . . ?
B9 B4 B5 C13 135.6(7) . . . . ?
B9 B4 B5 B6 100.7(7) . . . . ?
B9 B4 B5 B8 36.8(7) . . . . ?
B9 B5 B6 C13 98.4(6) . . . . ?
B9 B5 B6 B1 63.0(7) . . . . ?
B9 B5 B6 B7 0.8(7) . . . . ?
B9 B5 B6 B8 -36.5(6) . . . . ?
B9 B5 B8 B6 138.8(6) . . . . ?
B9 B5 B8 B7 100.7(8) . . . . ?
B9 B5 B8 B10 37.6(7) . . . . ?
B9 B8 B10 B2 101.6(7) . . . . ?
B9 B8 B10 B3 38.2(7) . . . . ?
B9 B8 B10 B7 138.9(7) . . . . ?
B10 B2 B3 C14 134.4(7) . . . . ?
B10 B2 B3 B4 98.8(7) . . . . ?
B10 B2 B3 B9 36.4(6) . . . . ?
B10 B2 B7 B1 -137.4(7) . . . . ?
B10 B2 B7 B6 -100.7(8) . . . . ?
B10 B2 B7 B8 -37.6(6) . . . . ?
B10 B3 B4 C13 61.6(8) . . . . ?
B10 B3 B4 C14 97.8(8) . . . . ?
B10 B3 B4 B5 0.9(10) . . . . ?
B10 B3 B4 B9 -36.4(7) . . . . ?
B10 B3 B9 B4 138.1(9) . . . . ?
B10 B3 B9 B5 101.2(9) . . . . ?
B10 B3 B9 B8 38.0(7) . . . . ?
B10 B7 B8 B5 -101.5(8) . . . . ?
B10 B7 B8 B6 -139.0(7) . . . . ?
B10 B7 B8 B9 -36.7(6) . . . . ?
B10 B8 B9 B3 -37.9(6) . . . . ?
B10 B8 B9 B4 -100.9(7) . . . . ?
B10 B8 B9 B5 -138.1(7) . . . . ?
O5 C53 C54 C55 178.6(9) . . . . ?
O5 C53 C58 C57 179.0(10) . . . . ?
O6 C74 C75 C76 -179.8(10) . . . . ?
C53 C54 C55 C56 5.1(15) . . . . ?
C54 C53 C58 C57 2.0(18) . . . . ?
C54 C55 C56 C57 -3.4(14) . . . . ?
C54 C55 C56 C59 177.5(8) . . . . ?
C55 C56 C57 C58 1.0(16) . . . . ?
C55 C56 C59 C60 30.8(12) . . . . ?
C55 C56 C59 C64 -147.1(9) . . . . ?
C56 C57 C58 C53 -0.4(19) . . . . ?
C56 C59 C60 C61 179.3(7) . . . . ?
C56 C59 C64 C63 178.5(8) . . . . ?
C57 C56 C59 C60 -148.3(9) . . . . ?
C57 C56 C59 C64 33.8(13) . . . . ?
C58 C53 C54 C55 -4.4(15) . . . . ?
C59 C56 C57 C58 -180.0(10) . . . . ?
C59 C60 C61 C62 -0.1(13) . . . . ?
C60 C59 C64 C63 0.6(13) . . . . ?
C60 C61 C62 C63 5.0(12) . . . . ?
C60 C61 C62 C65 177.8(7) . . . . ?
C61 C62 C63 C64 -7.4(13) . . . . ?
C61 C62 C65 C66 85.6(10) . . . . ?
C61 C62 C65 B21 16.4(10) . . . . ?
C61 C62 C65 B22 -55.2(11) . . . . ?
C61 C62 C65 B23 -129.3(9) . . . . ?
C61 C62 C65 B24 154.1(8) . . . . ?
C62 C63 C64 C59 4.7(14) . . . . ?
C62 C65 C66 C67 0.9(11) . . . . ?
C62 C65 C66 B21 -106.7(8) . . . . ?
C62 C65 C66 B24 108.6(8) . . . . ?
C62 C65 C66 B25 148.6(8) . . . . ?
C62 C65 C66 B26 -144.8(8) . . . . ?
C62 C65 B21 C66 109.0(7) . . . . ?
C62 C65 B21 B22 -111.4(7) . . . . ?
C62 C65 B21 B26 143.9(6) . . . . ?
C62 C65 B21 B27 -151.0(7) . . . . ?
C62 C65 B22 B21 106.7(8) . . . . ?
C62 C65 B22 B23 -113.8(8) . . . . ?
C62 C65 B22 B27 144.6(8) . . . . ?
C62 C65 B22 B28 -151.5(7) . . . . ?
C62 C65 B23 B22 109.4(8) . . . . ?
C62 C65 B23 B24 -109.2(8) . . . . ?
C62 C65 B23 B28 150.6(7) . . . . ?
C62 C65 B23 B29 -144.8(8) . . . . ?
C62 C65 B24 C66 -107.8(7) . . . . ?
C62 C65 B24 B23 115.0(8) . . . . ?
C62 C65 B24 B25 -143.6(7) . . . . ?
C62 C65 B24 B29 151.6(7) . . . . ?
C63 C62 C65 C66 -101.7(9) . . . . ?
C63 C62 C65 B21 -170.9(7) . . . . ?
C63 C62 C65 B22 117.5(9) . . . . ?
C63 C62 C65 B23 43.3(11) . . . . ?
C63 C62 C65 B24 -33.2(10) . . . . ?
C64 C59 C60 C61 -2.8(13) . . . . ?
C65 C62 C63 C64 179.4(8) . . . . ?
C65 C66 C67 C68 97.6(9) . . . . ?
C65 C66 C67 C78 -83.8(10) . . . . ?
C65 C66 B21 B22 -33.4(6) . . . . ?
C65 C66 B21 B26 -139.0(7) . . . . ?
C65 C66 B21 B27 -98.3(7) . . . . ?
C65 C66 B24 B23 36.5(5) . . . . ?
C65 C66 B24 B25 138.2(6) . . . . ?
C65 C66 B24 B29 99.7(7) . . . . ?
C65 C66 B25 B24 -37.9(6) . . . . ?
C65 C66 B25 B26 103.0(7) . . . . ?
C65 C66 B25 B29 -1.9(9) . . . . ?
C65 C66 B25 B30 62.0(9) . . . . ?
C65 C66 B26 B21 38.0(7) . . . . ?
C65 C66 B26 B25 -103.4(7) . . . . ?
C65 C66 B26 B27 -0.2(10) . . . . ?
C65 C66 B26 B30 -63.4(9) . . . . ?
C65 B21 B22 B23 -36.5(6) . . . . ?
C65 B21 B22 B27 -136.0(8) . . . . ?
C65 B21 B22 B28 -98.3(8) . . . . ?
C65 B21 B26 C66 -35.3(6) . . . . ?
C65 B21 B26 B25 -1.2(9) . . . . ?
C65 B21 B26 B27 99.7(8) . . . . ?
C65 B21 B26 B30 62.6(8) . . . . ?
C65 B21 B27 B22 36.4(6) . . . . ?
C65 B21 B27 B26 -99.2(7) . . . . ?
C65 B21 B27 B28 -0.6(9) . . . . ?
C65 B21 B27 B30 -62.9(9) . . . . ?
C65 B22 B23 B24 -33.9(6) . . . . ?
C65 B22 B23 B28 -136.0(7) . . . . ?
C65 B22 B23 B29 -95.9(7) . . . . ?
C65 B22 B27 B21 -40.1(7) . . . . ?
C65 B22 B27 B26 -1.1(10) . . . . ?
C65 B22 B27 B28 98.0(8) . . . . ?
C65 B22 B27 B30 60.5(9) . . . . ?
C65 B22 B28 B23 38.1(6) . . . . ?
C65 B22 B28 B27 -101.6(7) . . . . ?
C65 B22 B28 B29 -0.1(8) . . . . ?
C65 B22 B28 B30 -63.8(9) . . . . ?
C65 B23 B24 C66 -38.5(6) . . . . ?
C65 B23 B24 B25 -98.7(7) . . . . ?
C65 B23 B24 B29 -138.7(8) . . . . ?
C65 B23 B28 B22 -38.9(6) . . . . ?
C65 B23 B28 B27 -3.4(9) . . . . ?
C65 B23 B28 B29 98.0(8) . . . . ?
C65 B23 B28 B30 59.5(10) . . . . ?
C65 B23 B29 B24 35.8(7) . . . . ?
C65 B23 B29 B25 -3.9(10) . . . . ?
C65 B23 B29 B28 -103.3(8) . . . . ?
C65 B23 B29 B30 -65.5(9) . . . . ?
C65 B24 B25 C66 37.8(6) . . . . ?
C65 B24 B25 B26 2.6(8) . . . . ?
C65 B24 B25 B29 -99.7(7) . . . . ?
C65 B24 B25 B30 -62.2(8) . . . . ?
C65 B24 B29 B23 -35.3(7) . . . . ?
C65 B24 B29 B25 100.9(7) . . . . ?
C65 B24 B29 B28 0.5(9) . . . . ?
C65 B24 B29 B30 64.5(8) . . . . ?
C66 C65 B21 B22 139.6(7) . . . . ?
C66 C65 B21 B26 34.9(6) . . . . ?
C66 C65 B21 B27 99.9(7) . . . . ?
C66 C65 B22 B21 -36.9(7) . . . . ?
C66 C65 B22 B23 102.6(7) . . . . ?
C66 C65 B22 B27 1.0(10) . . . . ?
C66 C65 B22 B28 64.9(8) . . . . ?
C66 C65 B23 B22 -103.0(7) . . . . ?
C66 C65 B23 B24 38.4(6) . . . . ?
C66 C65 B23 B28 -61.8(9) . . . . ?
C66 C65 B23 B29 2.8(9) . . . . ?
C66 C65 B24 B23 -137.2(6) . . . . ?
C66 C65 B24 B25 -35.8(5) . . . . ?
C66 C65 B24 B29 -100.6(7) . . . . ?
C66 C67 C68 C69 178.7(8) . . . . ?
C66 C67 C78 C77 -179.9(7) . . . . ?
C66 B21 B22 C65 34.6(6) . . . . ?
C66 B21 B22 B23 -1.9(9) . . . . ?
C66 B21 B22 B27 -101.4(7) . . . . ?
C66 B21 B22 B28 -63.7(8) . . . . ?
C66 B21 B26 B25 34.1(6) . . . . ?
C66 B21 B26 B27 135.1(8) . . . . ?
C66 B21 B26 B30 98.0(8) . . . . ?
C66 B21 B27 B22 97.3(8) . . . . ?
C66 B21 B27 B26 -38.3(6) . . . . ?
C66 B21 B27 B28 60.3(9) . . . . ?
C66 B21 B27 B30 -2.0(10) . . . . ?
C66 B24 B25 B26 -35.2(6) . . . . ?
C66 B24 B25 B29 -137.5(7) . . . . ?
C66 B24 B25 B30 -100.0(8) . . . . ?
C66 B24 B29 B23 -99.8(7) . . . . ?
C66 B24 B29 B25 36.4(6) . . . . ?
C66 B24 B29 B28 -64.0(8) . . . . ?
C66 B24 B29 B30 0.0(9) . . . . ?
C66 B25 B26 B21 -35.3(6) . . . . ?
C66 B25 B26 B27 -96.5(7) . . . . ?
C66 B25 B26 B30 -134.4(7) . . . . ?
C66 B25 B29 B23 3.5(10) . . . . ?
C66 B25 B29 B24 -36.5(7) . . . . ?
C66 B25 B29 B28 65.0(9) . . . . ?
C66 B25 B29 B30 102.0(8) . . . . ?
C66 B25 B30 B26 40.4(6) . . . . ?
C66 B25 B30 B27 3.1(9) . . . . ?
C66 B25 B30 B28 -61.1(9) . . . . ?
C66 B25 B30 B29 -97.2(7) . . . . ?
C66 B26 B27 B21 39.8(7) . . . . ?
C66 B26 B27 B22 0.8(10) . . . . ?
C66 B26 B27 B28 -61.3(8) . . . . ?
C66 B26 B27 B30 -98.8(8) . . . . ?
C66 B26 B30 B25 -38.9(6) . . . . ?
C66 B26 B30 B27 99.4(7) . . . . ?
C66 B26 B30 B28 60.5(9) . . . . ?
C66 B26 B30 B29 -1.2(9) . . . . ?
C67 C66 B21 C65 -109.0(7) . . . . ?
C67 C66 B21 B22 -142.4(7) . . . . ?
C67 C66 B21 B26 112.0(8) . . . . ?
C67 C66 B21 B27 152.7(7) . . . . ?
C67 C66 B24 C65 108.0(7) . . . . ?
C67 C66 B24 B23 144.5(7) . . . . ?
C67 C66 B24 B25 -113.8(8) . . . . ?
C67 C66 B24 B29 -152.3(7) . . . . ?
C67 C66 B25 B24 108.7(8) . . . . ?
C67 C66 B25 B26 -110.5(9) . . . . ?
C67 C66 B25 B29 144.7(8) . . . . ?
C67 C66 B25 B30 -151.5(7) . . . . ?
C67 C66 B26 B21 -106.7(9) . . . . ?
C67 C66 B26 B25 112.0(8) . . . . ?
C67 C66 B26 B27 -144.9(8) . . . . ?
C67 C66 B26 B30 151.9(8) . . . . ?
C67 C68 C69 C70 2.5(14) . . . . ?
C68 C67 C78 C77 -1.4(13) . . . . ?
C68 C69 C70 C71 178.9(8) . . . . ?
C68 C69 C70 C77 -3.7(13) . . . . ?
C69 C70 C71 C72 145.8(9) . . . . ?
C69 C70 C71 C76 -34.2(13) . . . . ?
C69 C70 C77 C78 2.6(13) . . . . ?
C70 C71 C72 C73 179.5(8) . . . . ?
C70 C71 C76 C75 -179.5(10) . . . . ?
C70 C77 C78 C67 0.0(13) . . . . ?
C71 C70 C77 C78 180.0(8) . . . . ?
C71 C72 C73 C74 1.0(14) . . . . ?
C72 C71 C76 C75 0.5(16) . . . . ?
C72 C73 C74 O6 179.8(9) . . . . ?
C72 C73 C74 C75 -1.4(15) . . . . ?
C73 C74 C75 C76 1.4(17) . . . . ?
C74 C75 C76 C71 -0.9(18) . . . . ?
C76 C71 C72 C73 -0.5(14) . . . . ?
C77 C70 C71 C72 -31.6(12) . . . . ?
C77 C70 C71 C76 148.4(9) . . . . ?
C78 C67 C68 C69 0.1(14) . . . . ?
B21 C65 C66 C67 107.6(8) . . . . ?
B21 C65 C66 B24 -144.8(6) . . . . ?
B21 C65 C66 B25 -104.7(8) . . . . ?
B21 C65 C66 B26 -38.1(7) . . . . ?
B21 C65 B22 B23 139.5(7) . . . . ?
B21 C65 B22 B27 37.9(7) . . . . ?
B21 C65 B22 B28 101.8(7) . . . . ?
B21 C65 B23 B22 -38.0(6) . . . . ?
B21 C65 B23 B24 103.4(7) . . . . ?
B21 C65 B23 B28 3.2(9) . . . . ?
B21 C65 B23 B29 67.8(9) . . . . ?
B21 C65 B24 C66 32.4(6) . . . . ?
B21 C65 B24 B23 -104.8(7) . . . . ?
B21 C65 B24 B25 -3.4(8) . . . . ?
B21 C65 B24 B29 -68.2(8) . . . . ?
B21 C66 C67 C68 168.2(7) . . . . ?
B21 C66 C67 C78 -13.3(11) . . . . ?
B21 C66 B24 C65 -33.1(6) . . . . ?
B21 C66 B24 B23 3.5(8) . . . . ?
B21 C66 B24 B25 105.2(7) . . . . ?
B21 C66 B24 B29 66.7(8) . . . . ?
B21 C66 B25 B24 -104.4(7) . . . . ?
B21 C66 B25 B26 36.4(6) . . . . ?
B21 C66 B25 B29 -68.4(9) . . . . ?
B21 C66 B25 B30 -4.6(9) . . . . ?
B21 C66 B26 B25 -141.3(7) . . . . ?
B21 C66 B26 B27 -38.2(7) . . . . ?
B21 C66 B26 B30 -101.4(7) . . . . ?
B21 B22 B23 C65 37.9(6) . . . . ?
B21 B22 B23 B24 4.0(9) . . . . ?
B21 B22 B23 B28 -98.2(7) . . . . ?
B21 B22 B23 B29 -58.0(10) . . . . ?
B21 B22 B27 B26 39.1(7) . . . . ?
B21 B22 B27 B28 138.1(8) . . . . ?
B21 B22 B27 B30 100.6(8) . . . . ?
B21 B22 B28 B23 103.5(8) . . . . ?
B21 B22 B28 B27 -36.2(7) . . . . ?
B21 B22 B28 B29 65.3(9) . . . . ?
B21 B22 B28 B30 1.6(10) . . . . ?
B21 B26 B27 B22 -39.1(7) . . . . ?
B21 B26 B27 B28 -101.1(8) . . . . ?
B21 B26 B27 B30 -138.6(8) . . . . ?
B21 B26 B30 B25 -102.5(8) . . . . ?
B21 B26 B30 B27 35.7(7) . . . . ?
B21 B26 B30 B28 -3.2(10) . . . . ?
B21 B26 B30 B29 -64.9(9) . . . . ?
B21 B27 B28 B22 37.2(7) . . . . ?
B21 B27 B28 B23 2.4(10) . . . . ?
B21 B27 B28 B29 -61.2(9) . . . . ?
B21 B27 B28 B30 -100.0(8) . . . . ?
B21 B27 B30 B25 -0.6(10) . . . . ?
B21 B27 B30 B26 -36.8(7) . . . . ?
B21 B27 B30 B28 100.4(8) . . . . ?
B21 B27 B30 B29 62.8(9) . . . . ?
B22 C65 C66 C67 145.1(8) . . . . ?
B22 C65 C66 B21 37.6(7) . . . . ?
B22 C65 C66 B24 -107.2(8) . . . . ?
B22 C65 C66 B25 -67.1(9) . . . . ?
B22 C65 C66 B26 -0.5(10) . . . . ?
B22 C65 B21 C66 -139.6(7) . . . . ?
B22 C65 B21 B26 -104.7(7) . . . . ?
B22 C65 B21 B27 -39.7(7) . . . . ?
B22 C65 B23 B24 141.4(7) . . . . ?
B22 C65 B23 B28 41.2(7) . . . . ?
B22 C65 B23 B29 105.8(8) . . . . ?
B22 C65 B24 C66 100.0(7) . . . . ?
B22 C65 B24 B23 -37.2(7) . . . . ?
B22 C65 B24 B25 64.2(8) . . . . ?
B22 C65 B24 B29 -0.6(9) . . . . ?
B22 B21 B26 C66 -93.7(8) . . . . ?
B22 B21 B26 B25 -59.6(9) . . . . ?
B22 B21 B26 B27 41.4(8) . . . . ?
B22 B21 B26 B30 4.3(10) . . . . ?
B22 B21 B27 B26 -135.7(8) . . . . ?
B22 B21 B27 B28 -37.0(7) . . . . ?
B22 B21 B27 B30 -99.4(8) . . . . ?
B22 B23 B24 C65 34.0(6) . . . . ?
B22 B23 B24 C66 -4.5(8) . . . . ?
B22 B23 B24 B25 -64.7(8) . . . . ?
B22 B23 B24 B29 -104.7(8) . . . . ?
B22 B23 B28 B27 35.5(7) . . . . ?
B22 B23 B28 B29 136.9(7) . . . . ?
B22 B23 B28 B30 98.4(8) . . . . ?
B22 B23 B29 B24 97.9(8) . . . . ?
B22 B23 B29 B25 58.2(10) . . . . ?
B22 B23 B29 B28 -41.2(7) . . . . ?
B22 B23 B29 B30 -3.4(9) . . . . ?
B22 B27 B28 B23 -34.8(7) . . . . ?
B22 B27 B28 B29 -98.5(7) . . . . ?
B22 B27 B28 B30 -137.2(7) . . . . ?
B22 B27 B30 B25 -63.4(9) . . . . ?
B22 B27 B30 B26 -99.6(7) . . . . ?
B22 B27 B30 B28 37.5(6) . . . . ?
B22 B27 B30 B29 0.0(9) . . . . ?
B22 B28 B29 B23 37.0(6) . . . . ?
B22 B28 B29 B24 -0.3(9) . . . . ?
B22 B28 B29 B25 -64.5(8) . . . . ?
B22 B28 B29 B30 -100.6(7) . . . . ?
B22 B28 B30 B25 62.4(9) . . . . ?
B22 B28 B30 B26 1.0(10) . . . . ?
B22 B28 B30 B27 -37.6(7) . . . . ?
B22 B28 B30 B29 99.3(8) . . . . ?
B23 C65 C66 C67 -148.3(8) . . . . ?
B23 C65 C66 B21 104.1(7) . . . . ?
B23 C65 C66 B24 -40.6(7) . . . . ?
B23 C65 C66 B25 -0.6(9) . . . . ?
B23 C65 C66 B26 66.0(9) . . . . ?
B23 C65 B21 C66 -101.5(7) . . . . ?
B23 C65 B21 B22 38.1(7) . . . . ?
B23 C65 B21 B26 -66.6(8) . . . . ?
B23 C65 B21 B27 -1.6(9) . . . . ?
B23 C65 B22 B21 -139.5(7) . . . . ?
B23 C65 B22 B27 -101.6(8) . . . . ?
B23 C65 B22 B28 -37.7(6) . . . . ?
B23 C65 B24 C66 137.2(6) . . . . ?
B23 C65 B24 B25 101.4(7) . . . . ?
B23 C65 B24 B29 36.6(7) . . . . ?
B23 B22 B27 B21 -102.7(8) . . . . ?
B23 B22 B27 B26 -63.6(9) . . . . ?
B23 B22 B27 B28 35.5(7) . . . . ?
B23 B22 B27 B30 -2.0(9) . . . . ?
B23 B22 B28 B27 -139.7(7) . . . . ?
B23 B22 B28 B29 -38.2(6) . . . . ?
B23 B22 B28 B30 -101.9(8) . . . . ?
B23 B24 B25 C66 98.1(7) . . . . ?
B23 B24 B25 B26 62.9(8) . . . . ?
B23 B24 B25 B29 -39.4(7) . . . . ?
B23 B24 B25 B30 -1.9(9) . . . . ?
B23 B24 B29 B25 136.1(8) . . . . ?
B23 B24 B29 B28 35.8(7) . . . . ?
B23 B24 B29 B30 99.8(8) . . . . ?
B23 B28 B29 B24 -37.3(7) . . . . ?
B23 B28 B29 B25 -101.5(7) . . . . ?
B23 B28 B29 B30 -137.6(8) . . . . ?
B23 B28 B30 B25 1.4(11) . . . . ?
B23 B28 B30 B26 -60.0(10) . . . . ?
B23 B28 B30 B27 -98.6(8) . . . . ?
B23 B28 B30 B29 38.3(7) . . . . ?
B23 B29 B30 B25 102.1(7) . . . . ?
B23 B29 B30 B26 65.4(8) . . . . ?
B23 B29 B30 B27 2.0(9) . . . . ?
B23 B29 B30 B28 -36.7(6) . . . . ?
B24 C65 C66 C67 -107.7(8) . . . . ?
B24 C65 C66 B21 144.8(6) . . . . ?
B24 C65 C66 B25 40.1(7) . . . . ?
B24 C65 C66 B26 106.7(7) . . . . ?
B24 C65 B21 C66 -32.0(6) . . . . ?
B24 C65 B21 B22 107.6(7) . . . . ?
B24 C65 B21 B26 2.9(8) . . . . ?
B24 C65 B21 B27 68.0(8) . . . . ?
B24 C65 B22 B21 -101.4(7) . . . . ?
B24 C65 B22 B23 38.1(7) . . . . ?
B24 C65 B22 B27 -63.5(9) . . . . ?
B24 C65 B22 B28 0.4(9) . . . . ?
B24 C65 B23 B22 -141.4(7) . . . . ?
B24 C65 B23 B28 -100.2(8) . . . . ?
B24 C65 B23 B29 -35.6(7) . . . . ?
B24 C66 C67 C68 29.3(10) . . . . ?
B24 C66 C67 C78 -152.2(8) . . . . ?
B24 C66 B21 C65 32.3(6) . . . . ?
B24 C66 B21 B22 -1.1(8) . . . . ?
B24 C66 B21 B26 -106.7(7) . . . . ?
B24 C66 B21 B27 -66.0(8) . . . . ?
B24 C66 B25 B26 140.8(7) . . . . ?
B24 C66 B25 B29 36.0(6) . . . . ?
B24 C66 B25 B30 99.8(7) . . . . ?
B24 C66 B26 B21 102.7(7) . . . . ?
B24 C66 B26 B25 -38.7(7) . . . . ?
B24 C66 B26 B27 64.5(9) . . . . ?
B24 C66 B26 B30 1.3(9) . . . . ?
B24 B23 B28 B22 -101.1(7) . . . . ?
B24 B23 B28 B27 -65.5(9) . . . . ?
B24 B23 B28 B29 35.8(7) . . . . ?
B24 B23 B28 B30 -2.6(10) . . . . ?
B24 B23 B29 B25 -39.7(7) . . . . ?
B24 B23 B29 B28 -139.1(8) . . . . ?
B24 B23 B29 B30 -101.3(8) . . . . ?
B24 B25 B26 C66 34.5(6) . . . . ?
B24 B25 B26 B21 -0.8(9) . . . . ?
B24 B25 B26 B27 -62.0(9) . . . . ?
B24 B25 B26 B30 -99.9(7) . . . . ?
B24 B25 B29 B23 40.0(7) . . . . ?
B24 B25 B29 B28 101.4(8) . . . . ?
B24 B25 B29 B30 138.4(8) . . . . ?
B24 B25 B30 B26 101.8(7) . . . . ?
B24 B25 B30 B27 64.5(9) . . . . ?
B24 B25 B30 B28 0.3(10) . . . . ?
B24 B25 B30 B29 -35.8(7) . . . . ?
B24 B29 B30 B25 37.4(6) . . . . ?
B24 B29 B30 B26 0.7(9) . . . . ?
B24 B29 B30 B27 -62.7(8) . . . . ?
B24 B29 B30 B28 -101.4(7) . . . . ?
B25 C66 C67 C68 -46.5(11) . . . . ?
B25 C66 C67 C78 132.0(9) . . . . ?
B25 C66 B21 C65 102.5(7) . . . . ?
B25 C66 B21 B22 69.1(8) . . . . ?
B25 C66 B21 B26 -36.5(7) . . . . ?
B25 C66 B21 B27 4.3(9) . . . . ?
B25 C66 B24 C65 -138.2(6) . . . . ?
B25 C66 B24 B23 -101.7(7) . . . . ?
B25 C66 B24 B29 -38.5(7) . . . . ?
B25 C66 B26 B21 141.3(7) . . . . ?
B25 C66 B26 B27 103.2(8) . . . . ?
B25 C66 B26 B30 40.0(6) . . . . ?
B25 B24 B29 B23 -136.1(8) . . . . ?
B25 B24 B29 B28 -100.4(8) . . . . ?
B25 B24 B29 B30 -36.4(7) . . . . ?
B25 B26 B27 B21 100.8(8) . . . . ?
B25 B26 B27 B22 61.8(9) . . . . ?
B25 B26 B27 B28 -0.3(9) . . . . ?
B25 B26 B27 B30 -37.8(7) . . . . ?
B25 B26 B30 B27 138.3(7) . . . . ?
B25 B26 B30 B28 99.4(8) . . . . ?
B25 B26 B30 B29 37.7(6) . . . . ?
B25 B29 B30 B26 -36.7(6) . . . . ?
B25 B29 B30 B27 -100.1(7) . . . . ?
B25 B29 B30 B28 -138.8(7) . . . . ?
B26 C66 C67 C68 -120.3(9) . . . . ?
B26 C66 C67 C78 58.3(11) . . . . ?
B26 C66 B21 C65 139.0(7) . . . . ?
B26 C66 B21 B22 105.6(7) . . . . ?
B26 C66 B21 B27 40.7(7) . . . . ?
B26 C66 B24 C65 -100.6(7) . . . . ?
B26 C66 B24 B23 -64.1(8) . . . . ?
B26 C66 B24 B25 37.6(7) . . . . ?
B26 C66 B24 B29 -0.9(9) . . . . ?
B26 C66 B25 B24 -140.8(7) . . . . ?
B26 C66 B25 B29 -104.8(8) . . . . ?
B26 C66 B25 B30 -41.0(7) . . . . ?
B26 B21 B22 C65 94.6(8) . . . . ?
B26 B21 B22 B23 58.2(10) . . . . ?
B26 B21 B22 B27 -41.4(7) . . . . ?
B26 B21 B22 B28 -3.6(10) . . . . ?
B26 B21 B27 B22 135.7(8) . . . . ?
B26 B21 B27 B28 98.7(8) . . . . ?
B26 B21 B27 B30 36.3(7) . . . . ?
B26 B25 B29 B23 -59.4(9) . . . . ?
B26 B25 B29 B24 -99.4(7) . . . . ?
B26 B25 B29 B28 2.0(9) . . . . ?
B26 B25 B29 B30 39.0(7) . . . . ?
B26 B25 B30 B27 -37.3(7) . . . . ?
B26 B25 B30 B28 -101.5(8) . . . . ?
B26 B25 B30 B29 -137.6(7) . . . . ?
B26 B27 B28 B22 100.0(7) . . . . ?
B26 B27 B28 B23 65.2(9) . . . . ?
B26 B27 B28 B29 1.5(9) . . . . ?
B26 B27 B28 B30 -37.2(6) . . . . ?
B26 B27 B30 B25 36.2(7) . . . . ?
B26 B27 B30 B28 137.1(7) . . . . ?
B26 B27 B30 B29 99.6(7) . . . . ?
B27 B21 B22 C65 136.0(8) . . . . ?
B27 B21 B22 B23 99.6(9) . . . . ?
B27 B21 B22 B28 37.8(7) . . . . ?
B27 B21 B26 C66 -135.1(8) . . . . ?
B27 B21 B26 B25 -101.0(8) . . . . ?
B27 B21 B26 B30 -37.1(8) . . . . ?
B27 B22 B23 C65 99.3(7) . . . . ?
B27 B22 B23 B24 65.4(9) . . . . ?
B27 B22 B23 B28 -36.7(7) . . . . ?
B27 B22 B23 B29 3.4(10) . . . . ?
B27 B22 B28 B23 139.7(7) . . . . ?
B27 B22 B28 B29 101.5(7) . . . . ?
B27 B22 B28 B30 37.8(7) . . . . ?
B27 B26 B30 B25 -138.3(7) . . . . ?
B27 B26 B30 B28 -38.9(7) . . . . ?
B27 B26 B30 B29 -100.6(7) . . . . ?
B27 B28 B29 B23 99.4(7) . . . . ?
B27 B28 B29 B24 62.1(8) . . . . ?
B27 B28 B29 B25 -2.2(9) . . . . ?
B27 B28 B29 B30 -38.2(6) . . . . ?
B27 B28 B30 B25 100.1(8) . . . . ?
B27 B28 B30 B26 38.7(7) . . . . ?
B27 B28 B30 B29 136.9(7) . . . . ?
B28 B22 B23 C65 136.0(7) . . . . ?
B28 B22 B23 B24 102.1(7) . . . . ?
B28 B22 B23 B29 40.1(7) . . . . ?
B28 B22 B27 B21 -138.1(8) . . . . ?
B28 B22 B27 B26 -99.0(8) . . . . ?
B28 B22 B27 B30 -37.5(6) . . . . ?
B28 B23 B24 C65 101.5(8) . . . . ?
B28 B23 B24 C66 63.0(8) . . . . ?
B28 B23 B24 B25 2.8(10) . . . . ?
B28 B23 B24 B29 -37.2(7) . . . . ?
B28 B23 B29 B24 139.1(8) . . . . ?
B28 B23 B29 B25 99.4(8) . . . . ?
B28 B23 B29 B30 37.8(7) . . . . ?
B28 B27 B30 B25 -100.9(7) . . . . ?
B28 B27 B30 B26 -137.1(7) . . . . ?
B28 B27 B30 B29 -37.5(6) . . . . ?
B28 B29 B30 B25 138.8(7) . . . . ?
B28 B29 B30 B26 102.1(8) . . . . ?
B28 B29 B30 B27 38.7(7) . . . . ?
B29 B23 B24 C65 138.7(8) . . . . ?
B29 B23 B24 C66 100.2(7) . . . . ?
B29 B23 B24 B25 40.1(7) . . . . ?
B29 B23 B28 B22 -136.9(7) . . . . ?
B29 B23 B28 B27 -101.4(8) . . . . ?
B29 B23 B28 B30 -38.5(7) . . . . ?
B29 B24 B25 C66 137.5(7) . . . . ?
B29 B24 B25 B26 102.3(8) . . . . ?
B29 B24 B25 B30 37.5(7) . . . . ?
B29 B25 B26 C66 95.5(7) . . . . ?
B29 B25 B26 B21 60.2(9) . . . . ?
B29 B25 B26 B27 -1.0(9) . . . . ?
B29 B25 B26 B30 -38.9(7) . . . . ?
B29 B25 B30 B26 137.6(7) . . . . ?
B29 B25 B30 B27 100.3(8) . . . . ?
B29 B25 B30 B28 36.1(7) . . . . ?
B29 B28 B30 B25 -36.9(7) . . . . ?
B29 B28 B30 B26 -98.3(8) . . . . ?
B29 B28 B30 B27 -136.9(7) . . . . ?
B30 B25 B26 C66 134.4(7) . . . . ?
B30 B25 B26 B21 99.2(7) . . . . ?
B30 B25 B26 B27 37.9(7) . . . . ?
B30 B25 B29 B23 -98.4(8) . . . . ?
B30 B25 B29 B24 -138.4(8) . . . . ?
B30 B25 B29 B28 -37.0(6) . . . . ?
B30 B26 B27 B21 138.6(8) . . . . ?
B30 B26 B27 B22 99.5(8) . . . . ?
B30 B26 B27 B28 37.5(6) . . . . ?
B30 B27 B28 B22 137.2(7) . . . . ?
B30 B27 B28 B23 102.4(8) . . . . ?
B30 B27 B28 B29 38.8(6) . . . . ?
B30 B28 B29 B23 137.6(8) . . . . ?
B30 B28 B29 B24 100.3(8) . . . . ?
B30 B28 B29 B25 36.1(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_s_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 1917770'
_audit_update_record             
;
2019-05-22 deposited with the CCDC.	2019-09-19 downloaded from the CCDC.
;
_audit_creation_date             2019-04-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_chemical_formula_moiety         'C28 H32 B10 O2'
_chemical_formula_sum            'C28 H32 B10 O2'
_chemical_formula_weight         508.81
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.01920 0.00962 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
B 0.00963 0.00408 2.05450 1.33260 1.09790 0.70680 23.21850 1.02100 60.34980
0.14030 -0.193200007081
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.05239 0.03376 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.250800013542
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2ybc (x-z,y,z)'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,y+1/2,-z+1/2
3 -x,-y,-z
4 x-1/2,-y-1/2,z-1/2

_symmetry_Int_Tables_number      14
_cell_length_a                   11.4542(4)
_cell_length_b                   14.4867(5)
_cell_length_c                   17.2981(6)
_cell_angle_alpha                90
_cell_angle_beta                 94.0050(10)
_cell_angle_gamma                90
_cell_volume                     2863.33(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9428
_cell_measurement_temperature    153
_cell_measurement_theta_max      68.269
_cell_measurement_theta_min      3.050
_exptl_absorpt_coefficient_mu    0.498
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.7082
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0772 before and 0.0592 after correction. The Ratio of minimum to maximum transmission is 0.9404. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.1799
_exptl_crystal_description       block
_exptl_crystal_F_000             1066.7995
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_diffrn_reflns_av_R_equivalents  0.0322
_diffrn_reflns_av_unetI/netI     0.0185
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            37375
_diffrn_reflns_theta_full        68.2632
_diffrn_reflns_theta_max         68.26
_diffrn_reflns_theta_min         3.98
_diffrn_ambient_temperature      152.99
_diffrn_measured_fraction_theta_full 0.9916
_diffrn_measured_fraction_theta_max 0.9912
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54178
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              11
_reflns_limit_h_min              -13
_reflns_limit_k_max              17
_reflns_limit_k_min              0
_reflns_limit_l_max              20
_reflns_limit_l_min              -10
_reflns_number_gt                4866
_reflns_number_total             5202
_reflns_threshold_expression     I>=2u(I)
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         0.2127
_refine_diff_density_min         -0.1905
_refine_diff_density_rms         0.0338
_refine_ls_d_res_high            0.8299
_refine_ls_d_res_low             11.0951
_refine_ls_goodness_of_fit_ref   1.0536
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    60
_refine_ls_number_parameters     363
_refine_ls_number_reflns         5202
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0431
_refine_ls_R_factor_gt           0.0407
_refine_ls_restrained_S_all      1.0536
_refine_ls_shift/su_max          0.0009
_refine_ls_shift/su_mean         0.0002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0533P)²+0.7546P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1054
_refine_ls_wR_factor_ref         0.1077
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C005(H005), C006(H006), C008(H008), C00A(H00A), C00B(H00B), C00E(H00E),
 C00F(H00F), C00G(H00G), C00H(H00H), C00I(H00I), C00L(H00L), C00M(H00M),
 C00P(H00P), C00Q(H00Q), C00R(H00R), C00U(H00U)
2.b Idealised Me refined as rotating group:
 C00S(H00c,H00d,H00j), C00T(H00k,H00n,H00o)
2.c Boron cage BH refined with riding coordinates:
 B00V(H00V), B00W(H00W), B00X(H00X), B00Y(H00Y), B00Z(H00Z), B010(H010),
 B011(H011), B012(H012), B013(H013), B014(H014)
;
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_refinement_flags_posn
O001 O 0.71940(8) 0.69120(6) 0.99927(6) 0.0418(2) Uani 1.000000 .
O002 O 0.44454(10) 0.53715(7) 0.30775(6) 0.0553(3) Uani 1.000000 .
C003 C 0.41896(10) 0.25568(8) 0.53182(7) 0.0319(3) Uani 1.000000 .
C004 C 0.42082(10) 0.12172(8) 0.65043(7) 0.0316(3) Uani 1.000000 .
C005 C 0.32669(10) 0.24800(8) 0.57999(7) 0.0331(3) Uani 1.000000 .
H005 H 0.26192(10) 0.28881(8) 0.57275(7) 0.0397(3) Uiso 1.000000 R
C006 C 0.32740(10) 0.18238(8) 0.63798(7) 0.0336(3) Uani 1.000000 .
H006 H 0.26318(10) 0.17867(8) 0.66976(7) 0.0404(3) Uiso 1.000000 R
C007 C 0.50423(10) 0.16454(8) 0.82940(7) 0.0334(3) Uani 1.000000 .
C008 C 0.51203(11) 0.12755(9) 0.60152(8) 0.0381(3) Uani 1.000000 .
H008 H 0.57606(11) 0.08596(9) 0.60821(8) 0.0457(3) Uiso 1.000000 R
C009 C 0.42129(10) 0.32935(8) 0.47254(7) 0.0328(3) Uani 1.000000 .
C00A C 0.37339(11) 0.48515(9) 0.42970(7) 0.0360(3) Uani 1.000000 .
H00A H 0.33675(11) 0.54262(9) 0.43867(7) 0.0432(3) Uiso 1.000000 R
C00B C 0.62264(11) 0.18357(9) 0.84732(8) 0.0389(3) Uani 1.000000 .
H00B H 0.67919(11) 0.13640(9) 0.84214(8) 0.0467(4) Uiso 1.000000 R
C00C C 0.57856(11) 0.34171(9) 0.88126(7) 0.0348(3) Uani 1.000000 .
C00D C 0.68079(11) 0.60975(9) 0.96653(7) 0.0357(3) Uani 1.000000 .
C00E C 0.36859(11) 0.41421(9) 0.48315(7) 0.0348(3) Uani 1.000000 .
H00E H 0.32793(11) 0.42400(9) 0.52846(7) 0.0418(3) Uiso 1.000000 R
C00F C 0.74703(11) 0.53250(9) 0.98800(7) 0.0361(3) Uani 1.000000 .
H00F H 0.81484(11) 0.53891(9) 1.02246(7) 0.0433(3) Uiso 1.000000 R
C00G C 0.42431(11) 0.23535(9) 0.83770(8) 0.0388(3) Uani 1.000000 .
H00G H 0.34331(11) 0.22418(9) 0.82583(8) 0.0465(3) Uiso 1.000000 R
C00H C 0.71512(11) 0.44672(9) 0.95970(7) 0.0362(3) Uani 1.000000 .
H00H H 0.76157(11) 0.39461(9) 0.97490(7) 0.0434(3) Uiso 1.000000 R
C00I C 0.51068(11) 0.19303(9) 0.54335(8) 0.0382(3) Uani 1.000000 .
H00I H 0.57373(11) 0.19534(9) 0.51052(8) 0.0459(3) Uiso 1.000000 R
C00J C 0.42102(10) 0.04641(8) 0.71000(7) 0.0322(3) Uani 1.000000 .
C00K C 0.61554(11) 0.43459(9) 0.90891(7) 0.0348(3) Uani 1.000000 .
C00L C 0.65838(11) 0.27032(9) 0.87252(8) 0.0396(3) Uani 1.000000 .
H00L H 0.73940(11) 0.28162(9) 0.88420(8) 0.0475(4) Uiso 1.000000 R
C00M C 0.46086(11) 0.32179(9) 0.86295(8) 0.0393(3) Uani 1.000000 .
H00M H 0.40421(11) 0.36892(9) 0.86798(8) 0.0471(3) Uiso 1.000000 R
C00N C 0.46518(10) 0.06900(9) 0.80640(7) 0.0336(3) Uani 1.000000 .
C00O C 0.43178(12) 0.47189(9) 0.36323(8) 0.0402(3) Uani 1.000000 .
C00P C 0.55178(12) 0.51333(9) 0.88719(8) 0.0443(3) Uani 1.000000 .
H00P H 0.48456(12) 0.50730(9) 0.85215(8) 0.0532(4) Uiso 1.000000 R
C00Q C 0.58305(12) 0.60014(10) 0.91495(9) 0.0449(3) Uani 1.000000 .
H00Q H 0.53804(12) 0.65268(10) 0.89887(9) 0.0539(4) Uiso 1.000000 R
C00R C 0.47848(14) 0.31713(10) 0.40442(9) 0.0485(3) Uani 1.000000 .
H00R H 0.51469(14) 0.25959(10) 0.39505(9) 0.0582(4) Uiso 1.000000 R
C00S C 0.39485(15) 0.62535(10) 0.31950(9) 0.0510(4) Uani 1.000000 .
H00c H 0.4169(9) 0.6676(2) 0.2787(4) 0.0765(5) Uiso 1.000000 GR
H00d H 0.30941(16) 0.61997(17) 0.3177(7) 0.0765(5) Uiso 1.000000 GR
H00j H 0.4239(8) 0.6494(4) 0.3702(3) 0.0765(5) Uiso 1.000000 GR
C00T C 0.66100(14) 0.77366(10) 0.97338(9) 0.0524(4) Uani 1.000000 .
H00k H 0.6637(9) 0.7791(4) 0.91707(13) 0.0786(6) Uiso 1.000000 GR
H00n H 0.5793(3) 0.7714(4) 0.9867(6) 0.0786(6) Uiso 1.000000 GR
H00o H 0.6999(6) 0.82709(11) 0.9986(5) 0.0786(6) Uiso 1.000000 GR
C00U C 0.48329(15) 0.38680(10) 0.35078(9) 0.0559(4) Uani 1.000000 .
H00U H 0.52218(15) 0.37670(10) 0.30478(9) 0.0671(5) Uiso 1.000000 R
B00V B 0.55424(12) 0.00575(10) 0.74945(9) 0.0355(3) Uani 1.000000 .
H00V H 0.64040(12) 0.03200(10) 0.73176(9) 0.0427(4) Uiso 1.000000 R
B00W B 0.31897(12) 0.04992(10) 0.77892(8) 0.0338(3) Uani 1.000000 .
H00W H 0.25093(12) 0.10528(10) 0.78056(8) 0.0406(4) Uiso 1.000000 R
B00X B 0.38623(12) 0.00127(11) 0.86505(9) 0.0388(3) Uani 1.000000 .
H00X H 0.36166(12) 0.02298(11) 0.92390(9) 0.0465(4) Uiso 1.000000 R
B00Y B 0.31369(12) -0.03522(10) 0.70520(9) 0.0366(3) Uani 1.000000 .
H00Y H 0.24108(12) -0.03745(10) 0.65838(9) 0.0439(4) Uiso 1.000000 R
B00Z B 0.53288(13) -0.02658(10) 0.84661(9) 0.0388(3) Uani 1.000000 .
H00Z H 0.60556(13) -0.02339(10) 0.89334(9) 0.0466(4) Uiso 1.000000 R
B010 B 0.46044(12) -0.06332(10) 0.68668(9) 0.0373(3) Uani 1.000000 .
H010 H 0.48530(12) -0.08433(10) 0.62773(9) 0.0448(4) Uiso 1.000000 R
B011 B 0.29092(13) -0.06623(10) 0.80213(9) 0.0400(3) Uani 1.000000 .
H011 H 0.20319(13) -0.08936(10) 0.81950(9) 0.0480(4) Uiso 1.000000 R
B012 B 0.52963(13) -0.11151(10) 0.77240(10) 0.0406(3) Uani 1.000000 .
H012 H 0.60027(13) -0.16469(10) 0.77009(10) 0.0487(4) Uiso 1.000000 R
B013 B 0.42455(13) -0.11456(11) 0.84383(10) 0.0427(3) Uani 1.000000 .
H013 H 0.42529(13) -0.17026(11) 0.88877(10) 0.0513(4) Uiso 1.000000 R
B014 B 0.37959(13) -0.13729(11) 0.74541(10) 0.0419(3) Uani 1.000000 .
H014 H 0.35070(13) -0.20779(11) 0.72557(10) 0.0502(4) Uiso 1.000000 R


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
O001 C00D 1.3687(15) . ?
O001 C00T 1.4259(17) . ?
O002 C00O 1.3623(16) . ?
O002 C00S 1.4192(18) . ?
C003 C005 1.3953(16) . ?
C003 C009 1.4815(17) . ?
C003 C00I 1.3921(17) . ?
C004 C006 1.3898(17) . ?
C004 C008 1.3921(17) . ?
C004 C00J 1.5005(17) . ?
C005 C006 1.3817(17) . ?
C007 C00B 1.3975(17) . ?
C007 C00G 1.3890(17) . ?
C007 C00N 1.4997(17) . ?
C008 C00I 1.3821(18) . ?
C009 C00E 1.3874(17) . ?
C009 C00R 1.3987(18) . ?
C00A C00E 1.3860(17) . ?
C00A C00O 1.3833(18) . ?
C00B C00L 1.3828(18) . ?
C00C C00K 1.4799(17) . ?
C00C C00L 1.3956(17) . ?
C00C C00M 1.3934(17) . ?
C00D C00F 1.3881(17) . ?
C00D C00Q 1.3890(19) . ?
C00F C00H 1.3758(18) . ?
C00G C00M 1.3815(18) . ?
C00H C00K 1.4013(18) . ?
C00J C00N 1.7395(17) . ?
C00J B00V 1.7308(18) . ?
C00J B00W 1.7277(18) . ?
C00J B00Y 1.7036(17) . ?
C00J B010 1.7085(18) . ?
C00K C00P 1.3920(18) . ?
C00N B00V 1.7295(18) . ?
C00N B00W 1.7309(17) . ?
C00N B00X 1.7140(19) . ?
C00N B00Z 1.7109(18) . ?
C00O C00U 1.390(2) . ?
C00P C00Q 1.3843(19) . ?
C00R C00U 1.375(2) . ?
B00V B00Z 1.778(2) . ?
B00V B010 1.781(2) . ?
B00V B012 1.771(2) . ?
B00W B00X 1.775(2) . ?
B00W B00Y 1.772(2) . ?
B00W B011 1.765(2) . ?
B00X B00Z 1.778(2) . ?
B00X B011 1.780(2) . ?
B00X B013 1.779(2) . ?
B00Y B010 1.780(2) . ?
B00Y B011 1.773(2) . ?
B00Y B014 1.780(2) . ?
B00Z B012 1.777(2) . ?
B00Z B013 1.777(2) . ?
B010 B012 1.775(2) . ?
B010 B014 1.780(2) . ?
B011 B013 1.789(2) . ?
B011 B014 1.787(2) . ?
B012 B013 1.785(2) . ?
B012 B014 1.789(2) . ?
B013 B014 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
C00T O001 C00D 117.47(10) . . ?
C00S O002 C00O 117.39(11) . . ?
C009 C003 C005 121.46(11) . . ?
C00I C003 C005 117.25(11) . . ?
C00I C003 C009 121.26(11) . . ?
C008 C004 C006 118.02(11) . . ?
C00J C004 C006 122.02(10) . . ?
C00J C004 C008 119.76(11) . . ?
C006 C005 C003 121.48(11) . . ?
C005 C006 C004 120.86(11) . . ?
C00G C007 C00B 117.89(11) . . ?
C00N C007 C00B 120.52(11) . . ?
C00N C007 C00G 121.50(11) . . ?
C00I C008 C004 120.89(11) . . ?
C00E C009 C003 121.17(11) . . ?
C00R C009 C003 121.61(11) . . ?
C00R C009 C00E 117.21(11) . . ?
C00O C00A C00E 119.70(12) . . ?
C00L C00B C007 120.71(11) . . ?
C00L C00C C00K 122.27(11) . . ?
C00M C00C C00K 120.82(11) . . ?
C00M C00C C00L 116.91(12) . . ?
C00F C00D O001 115.44(11) . . ?
C00Q C00D O001 125.09(11) . . ?
C00Q C00D C00F 119.47(12) . . ?
C00A C00E C009 122.06(11) . . ?
C00H C00F C00D 120.43(11) . . ?
C00M C00G C007 120.98(11) . . ?
C00K C00H C00F 121.38(11) . . ?
C008 C00I C003 121.45(11) . . ?
C00N C00J C004 120.53(9) . . ?
B00V C00J C004 118.50(10) . . ?
B00V C00J C00N 59.78(7) . . ?
B00W C00J C004 118.94(10) . . ?
B00W C00J C00N 59.90(7) . . ?
B00W C00J B00V 111.00(9) . . ?
B00Y C00J C004 120.31(10) . . ?
B00Y C00J C00N 109.75(9) . . ?
B00Y C00J B00V 113.35(9) . . ?
B00Y C00J B00W 62.18(8) . . ?
B010 C00J C004 120.14(10) . . ?
B010 C00J C00N 109.71(9) . . ?
B010 C00J B00V 62.36(8) . . ?
B010 C00J B00W 113.14(10) . . ?
B010 C00J B00Y 62.90(8) . . ?
C00H C00K C00C 121.24(11) . . ?
C00P C00K C00C 121.66(11) . . ?
C00P C00K C00H 117.08(12) . . ?
C00C C00L C00B 121.73(11) . . ?
C00G C00M C00C 121.78(12) . . ?
C00J C00N C007 119.29(10) . . ?
B00V C00N C007 117.60(10) . . ?
B00V C00N C00J 59.86(7) . . ?
B00W C00N C007 119.02(10) . . ?
B00W C00N C00J 59.71(7) . . ?
B00W C00N B00V 110.90(9) . . ?
B00X C00N C007 122.08(10) . . ?
B00X C00N C00J 109.25(9) . . ?
B00X C00N B00V 112.98(10) . . ?
B00X C00N B00W 62.02(8) . . ?
B00Z C00N C007 121.38(10) . . ?
B00Z C00N C00J 109.31(9) . . ?
B00Z C00N B00V 62.24(8) . . ?
B00Z C00N B00W 112.63(10) . . ?
B00Z C00N B00X 62.55(8) . . ?
C00A C00O O002 124.82(12) . . ?
C00U C00O O002 116.02(12) . . ?
C00U C00O C00A 119.15(12) . . ?
C00Q C00P C00K 122.19(12) . . ?
C00P C00Q C00D 119.43(12) . . ?
C00U C00R C009 121.26(13) . . ?
C00R C00U C00O 120.61(13) . . ?
C00N B00V C00J 60.36(7) . . ?
B00Z B00V C00J 106.66(9) . . ?
B00Z B00V C00N 58.37(8) . . ?
B010 B00V C00J 58.21(7) . . ?
B010 B00V C00N 106.87(9) . . ?
B010 B00V B00Z 108.14(10) . . ?
B012 B00V C00J 105.37(10) . . ?
B012 B00V C00N 105.72(10) . . ?
B012 B00V B00Z 60.06(9) . . ?
B012 B00V B010 59.95(8) . . ?
C00N B00W C00J 60.39(7) . . ?
B00X B00W C00J 107.02(9) . . ?
B00X B00W C00N 58.52(7) . . ?
B00Y B00W C00J 58.24(7) . . ?
B00Y B00W C00N 107.01(10) . . ?
B00Y B00W B00X 108.59(10) . . ?
B011 B00W C00J 105.77(10) . . ?
B011 B00W C00N 106.13(10) . . ?
B011 B00W B00X 60.37(8) . . ?
B011 B00W B00Y 60.17(8) . . ?
B00W B00X C00N 59.46(7) . . ?
B00Z B00X C00N 58.64(8) . . ?
B00Z B00X B00W 107.44(10) . . ?
B011 B00X C00N 106.20(10) . . ?
B011 B00X B00W 59.53(8) . . ?
B011 B00X B00Z 108.21(11) . . ?
B013 B00X C00N 105.65(10) . . ?
B013 B00X B00W 107.47(11) . . ?
B013 B00X B00Z 59.95(8) . . ?
B013 B00X B011 60.34(9) . . ?
B00W B00Y C00J 59.57(7) . . ?
B010 B00Y C00J 58.69(7) . . ?
B010 B00Y B00W 107.66(10) . . ?
B011 B00Y C00J 106.45(10) . . ?
B011 B00Y B00W 59.71(8) . . ?
B011 B00Y B010 108.38(10) . . ?
B014 B00Y C00J 105.83(10) . . ?
B014 B00Y B00W 107.74(11) . . ?
B014 B00Y B010 60.01(8) . . ?
B014 B00Y B011 60.40(9) . . ?
B00V B00Z C00N 59.39(8) . . ?
B00X B00Z C00N 58.81(8) . . ?
B00X B00Z B00V 107.69(10) . . ?
B012 B00Z C00N 106.30(10) . . ?
B012 B00Z B00V 59.78(8) . . ?
B012 B00Z B00X 108.33(10) . . ?
B013 B00Z C00N 105.88(10) . . ?
B013 B00Z B00V 107.77(11) . . ?
B013 B00Z B00X 60.06(9) . . ?
B013 B00Z B012 60.29(9) . . ?
B00V B010 C00J 59.43(7) . . ?
B00Y B010 C00J 58.42(7) . . ?
B00Y B010 B00V 107.39(10) . . ?
B012 B010 C00J 106.18(10) . . ?
B012 B010 B00V 59.76(8) . . ?
B012 B010 B00Y 108.17(11) . . ?
B014 B010 C00J 105.59(10) . . ?
B014 B010 B00V 107.82(11) . . ?
B014 B010 B00Y 59.98(8) . . ?
B014 B010 B012 60.41(8) . . ?
B00X B011 B00W 60.10(8) . . ?
B00Y B011 B00W 60.13(8) . . ?
B00Y B011 B00X 108.34(10) . . ?
B013 B011 B00W 107.50(10) . . ?
B013 B011 B00X 59.82(9) . . ?
B013 B011 B00Y 107.60(10) . . ?
B014 B011 B00W 107.75(10) . . ?
B014 B011 B00X 107.72(10) . . ?
B014 B011 B00Y 59.99(9) . . ?
B014 B011 B013 59.52(9) . . ?
B00Z B012 B00V 60.15(8) . . ?
B010 B012 B00V 60.28(8) . . ?
B010 B012 B00Z 108.48(10) . . ?
B013 B012 B00V 107.73(10) . . ?
B013 B012 B00Z 59.87(9) . . ?
B013 B012 B010 107.74(10) . . ?
B014 B012 B00V 107.86(10) . . ?
B014 B012 B00Z 107.73(11) . . ?
B014 B012 B010 59.95(8) . . ?
B014 B012 B013 59.56(9) . . ?
B00Z B013 B00X 59.99(8) . . ?
B011 B013 B00X 59.84(8) . . ?
B011 B013 B00Z 107.84(10) . . ?
B012 B013 B00X 107.90(10) . . ?
B012 B013 B00Z 59.84(9) . . ?
B012 B013 B011 108.10(11) . . ?
B014 B013 B00X 108.28(11) . . ?
B014 B013 B00Z 108.32(11) . . ?
B014 B013 B011 60.19(9) . . ?
B014 B013 B012 60.33(9) . . ?
B010 B014 B00Y 60.01(8) . . ?
B011 B014 B00Y 59.61(8) . . ?
B011 B014 B010 107.75(10) . . ?
B012 B014 B00Y 107.58(10) . . ?
B012 B014 B010 59.64(8) . . ?
B012 B014 B011 108.00(11) . . ?
B013 B014 B00Y 107.91(11) . . ?
B013 B014 B010 107.94(10) . . ?
B013 B014 B011 60.29(9) . . ?
B013 B014 B012 60.11(9) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
