# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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. 
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data_vivek_0m
_database_code_depnum_ccdc_archive 'CCDC 1541247'
_audit_update_record             
;
2017-03-30 deposited with the CCDC.
2018-05-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C40 H54 B4 O8'
_chemical_formula_sum            'C40 H54 B4 O8'
_chemical_formula_weight         706.07

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   12.331(3)
_cell_length_b                   10.794(3)
_cell_length_c                   15.681(4)
_cell_angle_alpha                90
_cell_angle_beta                 109.944(4)
_cell_angle_gamma                90
_cell_volume                     1962.1(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    1711
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      24.93

_exptl_crystal_description       needle
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.195
_exptl_crystal_F_000             756
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    0.080
_shelx_estimated_absorpt_T_min   0.977
_shelx_estimated_absorpt_T_max   0.996
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.977
_exptl_absorpt_correction_T_max  0.996
_exptl_absorpt_process_details   'SADABS(Bruker, 2006)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            21261
_diffrn_reflns_av_unetI/netI     0.1006
_diffrn_reflns_av_R_equivalents  0.1481
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.339
_diffrn_reflns_theta_max         25.993
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             3844
_reflns_number_gt                2270
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0780P)²+5.3516P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3844
_refine_ls_number_parameters     243
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1606
_refine_ls_R_factor_gt           0.0973
_refine_ls_wR_factor_ref         0.2333
_refine_ls_wR_factor_gt          0.2009
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.2864(2) -0.1112(3) 0.84557(19) 0.0193(7) Uani 1 1 d . . . . .
O2 O 0.3529(2) 0.0877(3) 0.85432(19) 0.0186(7) Uani 1 1 d . . . . .
O3 O 0.3090(3) 0.4011(3) 1.0596(2) 0.0329(9) Uani 1 1 d . . . . .
O4 O 0.1682(3) 0.4188(3) 1.1215(2) 0.0285(8) Uani 1 1 d . . . . .
B1 B 0.2822(4) 0.0064(5) 0.8763(3) 0.0185(11) Uani 1 1 d . . . . .
B2 B 0.2124(4) 0.3508(5) 1.0675(3) 0.0185(11) Uani 1 1 d . . . . .
C1 C -0.0041(4) -0.2033(4) 0.9177(3) 0.0173(9) Uani 1 1 d . . . . .
H1 H -0.0207 -0.2835 0.8914 0.021 Uiso 1 1 calc R U . . .
C2 C 0.0835(3) -0.1391(4) 0.9077(3) 0.0169(9) Uani 1 1 d . . . . .
H2 H 0.1279 -0.1757 0.8754 0.020 Uiso 1 1 calc R U . . .
C3 C 0.1127(3) -0.0172(4) 0.9440(3) 0.0154(9) Uani 1 1 d . . . . .
C4 C 0.2046(3) 0.0515(4) 0.9321(3) 0.0156(9) Uani 1 1 d . . . . .
C5 C 0.2284(3) 0.1690(4) 0.9722(3) 0.0153(9) Uani 1 1 d . . . . .
H5 H 0.2898 0.2150 0.9641 0.018 Uiso 1 1 calc R U . . .
C6 C 0.1679(3) 0.2227(4) 1.0232(3) 0.0143(9) Uani 1 1 d . . . . .
C7 C 0.0741(3) 0.1548(4) 1.0332(3) 0.0160(9) Uani 1 1 d . . . . .
C8 C 0.0468(3) 0.0348(4) 0.9944(3) 0.0137(9) Uani 1 1 d . . . . .
C9 C 0.3507(4) -0.1042(4) 0.7824(3) 0.0213(10) Uani 1 1 d . . . . .
C10 C 0.4237(4) 0.0154(4) 0.8140(3) 0.0183(9) Uani 1 1 d . . . . .
C11 C 0.2587(4) -0.0912(5) 0.6884(3) 0.0306(12) Uani 1 1 d . . . . .
H11A H 0.2020 -0.1580 0.6792 0.046 Uiso 1 1 calc R U . . .
H11B H 0.2952 -0.0964 0.6420 0.046 Uiso 1 1 calc R U . . .
H11C H 0.2199 -0.0110 0.6839 0.046 Uiso 1 1 calc R U . . .
C12 C 0.4163(4) -0.2234(4) 0.7872(3) 0.0321(12) Uani 1 1 d . . . . .
H12A H 0.4673 -0.2376 0.8498 0.048 Uiso 1 1 calc R U . . .
H12C H 0.4624 -0.2179 0.7474 0.048 Uiso 1 1 calc R U . . .
H12B H 0.3617 -0.2924 0.7677 0.048 Uiso 1 1 calc R U . . .
C13 C 0.4411(4) 0.0902(4) 0.7389(3) 0.0279(11) Uani 1 1 d . . . . .
H13A H 0.3660 0.1169 0.6967 0.042 Uiso 1 1 calc R U . . .
H13B H 0.4804 0.0395 0.7065 0.042 Uiso 1 1 calc R U . . .
H13C H 0.4883 0.1632 0.7646 0.042 Uiso 1 1 calc R U . . .
C14 C 0.5375(4) -0.0079(5) 0.8897(3) 0.0284(11) Uani 1 1 d . . . . .
H14A H 0.5705 0.0713 0.9170 0.043 Uiso 1 1 calc R U . . .
H14B H 0.5911 -0.0491 0.8650 0.043 Uiso 1 1 calc R U . . .
H14C H 0.5243 -0.0608 0.9360 0.043 Uiso 1 1 calc R U . . .
C15 C 0.3243(4) 0.5241(4) 1.1014(3) 0.0239(10) Uani 1 1 d . . . . .
C16 C 0.2499(5) 0.5158(5) 1.1618(3) 0.0343(13) Uani 1 1 d . . . . .
C17 C 0.2796(6) 0.6161(5) 1.0243(4) 0.0498(16) Uani 1 1 d . . . . .
H17A H 0.3241 0.6082 0.9833 0.075 Uiso 1 1 calc R U . . .
H17B H 0.2879 0.7004 1.0489 0.075 Uiso 1 1 calc R U . . .
H17C H 0.1981 0.5992 0.9908 0.075 Uiso 1 1 calc R U . . .
C18 C 0.4529(5) 0.5437(5) 1.1502(4) 0.0456(15) Uani 1 1 d . . . . .
H18A H 0.4807 0.4850 1.2007 0.068 Uiso 1 1 calc R U . . .
H18B H 0.4665 0.6286 1.1736 0.068 Uiso 1 1 calc R U . . .
H18C H 0.4944 0.5302 1.1076 0.068 Uiso 1 1 calc R U . . .
C19 C 0.1931(6) 0.6306(6) 1.1748(6) 0.075(3) Uani 1 1 d . . . . .
H19A H 0.1324 0.6529 1.1178 0.112 Uiso 1 1 calc R U . . .
H19B H 0.2500 0.6975 1.1930 0.112 Uiso 1 1 calc R U . . .
H19C H 0.1589 0.6177 1.2221 0.112 Uiso 1 1 calc R U . . .
C20 C 0.3168(6) 0.4597(6) 1.2575(4) 0.0528(17) Uani 1 1 d . . . . .
H20A H 0.2616 0.4340 1.2866 0.079 Uiso 1 1 calc R U . . .
H20B H 0.3691 0.5222 1.2951 0.079 Uiso 1 1 calc R U . . .
H20C H 0.3615 0.3877 1.2506 0.079 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1 B1 1.365(6) . ?
O1 C9 1.467(5) . ?
O2 B1 1.361(6) . ?
O2 C10 1.466(5) . ?
O3 B2 1.354(6) . ?
O3 C15 1.465(5) . ?
O4 B2 1.367(6) . ?
O4 C16 1.441(5) . ?
B1 C4 1.578(6) . ?
B2 C6 1.560(6) . ?
C1 C2 1.336(6) . ?
C1 C7 1.437(6) 3_557 ?
C1 H1 0.9500 . ?
C2 C3 1.430(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.419(6) . ?
C3 C8 1.428(6) . ?
C4 C5 1.401(6) . ?
C5 C6 1.392(6) . ?
C5 H5 0.9500 . ?
C6 C7 1.423(6) . ?
C7 C8 1.421(6) . ?
C7 C1 1.437(6) 3_557 ?
C8 C8 1.438(8) 3_557 ?
C9 C12 1.508(6) . ?
C9 C11 1.529(6) . ?
C9 C10 1.554(6) . ?
C10 C13 1.502(6) . ?
C10 C14 1.518(6) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12C 0.9800 . ?
C12 H12B 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C17 1.516(7) . ?
C15 C18 1.522(7) . ?
C15 C16 1.530(7) . ?
C16 C19 1.471(8) . ?
C16 C20 1.566(8) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?

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
B1 O1 C9 106.5(3) . . ?
B1 O2 C10 107.0(3) . . ?
B2 O3 C15 107.8(3) . . ?
B2 O4 C16 107.2(3) . . ?
O2 B1 O1 113.9(4) . . ?
O2 B1 C4 120.2(4) . . ?
O1 B1 C4 125.9(4) . . ?
O3 B2 O4 113.0(4) . . ?
O3 B2 C6 120.0(4) . . ?
O4 B2 C6 126.8(4) . . ?
C2 C1 C7 122.0(4) . 3_557 ?
C2 C1 H1 119.0 . . ?
C7 C1 H1 119.0 3_557 . ?
C1 C2 C3 122.4(4) . . ?
C1 C2 H2 118.8 . . ?
C3 C2 H2 118.8 . . ?
C4 C3 C8 119.9(4) . . ?
C4 C3 C2 122.2(4) . . ?
C8 C3 C2 117.9(4) . . ?
C5 C4 C3 117.9(4) . . ?
C5 C4 B1 117.0(4) . . ?
C3 C4 B1 125.0(4) . . ?
C6 C5 C4 124.3(4) . . ?
C6 C5 H5 117.9 . . ?
C4 C5 H5 117.9 . . ?
C5 C6 C7 117.6(4) . . ?
C5 C6 B2 116.7(4) . . ?
C7 C6 B2 125.6(4) . . ?
C8 C7 C6 120.3(4) . . ?
C8 C7 C1 117.6(4) . 3_557 ?
C6 C7 C1 122.0(4) . 3_557 ?
C7 C8 C3 119.9(4) . . ?
C7 C8 C8 120.5(4) . 3_557 ?
C3 C8 C8 119.6(5) . 3_557 ?
O1 C9 C12 109.0(3) . . ?
O1 C9 C11 105.1(3) . . ?
C12 C9 C11 109.6(4) . . ?
O1 C9 C10 102.5(3) . . ?
C12 C9 C10 116.8(4) . . ?
C11 C9 C10 113.0(4) . . ?
O2 C10 C13 108.5(3) . . ?
O2 C10 C14 106.1(3) . . ?
C13 C10 C14 111.1(4) . . ?
O2 C10 C9 102.4(3) . . ?
C13 C10 C9 114.8(4) . . ?
C14 C10 C9 113.1(4) . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12C C12 H12B 109.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O3 C15 C17 106.3(4) . . ?
O3 C15 C18 107.7(4) . . ?
C17 C15 C18 110.1(5) . . ?
O3 C15 C16 102.2(3) . . ?
C17 C15 C16 113.6(4) . . ?
C18 C15 C16 116.1(4) . . ?
O4 C16 C19 112.2(5) . . ?
O4 C16 C15 104.4(3) . . ?
C19 C16 C15 116.8(5) . . ?
O4 C16 C20 101.6(4) . . ?
C19 C16 C20 108.3(5) . . ?
C15 C16 C20 112.6(5) . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C16 C20 H20A 109.5 . . ?
C16 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C16 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C10 O2 B1 O1 -7.6(5) . . . . ?
C10 O2 B1 C4 172.6(4) . . . . ?
C9 O1 B1 O2 -11.1(5) . . . . ?
C9 O1 B1 C4 168.6(4) . . . . ?
C15 O3 B2 O4 -8.5(5) . . . . ?
C15 O3 B2 C6 175.7(4) . . . . ?
C16 O4 B2 O3 -7.2(5) . . . . ?
C16 O4 B2 C6 168.2(4) . . . . ?
C7 C1 C2 C3 -1.0(6) 3_557 . . . ?
C1 C2 C3 C4 -179.0(4) . . . . ?
C1 C2 C3 C8 1.7(6) . . . . ?
C8 C3 C4 C5 0.9(5) . . . . ?
C2 C3 C4 C5 -178.4(4) . . . . ?
C8 C3 C4 B1 -178.6(4) . . . . ?
C2 C3 C4 B1 2.1(6) . . . . ?
O2 B1 C4 C5 -12.2(6) . . . . ?
O1 B1 C4 C5 168.1(4) . . . . ?
O2 B1 C4 C3 167.3(4) . . . . ?
O1 B1 C4 C3 -12.4(7) . . . . ?
C3 C4 C5 C6 0.2(6) . . . . ?
B1 C4 C5 C6 179.7(4) . . . . ?
C4 C5 C6 C7 -1.6(6) . . . . ?
C4 C5 C6 B2 176.2(4) . . . . ?
O3 B2 C6 C5 -3.5(6) . . . . ?
O4 B2 C6 C5 -178.6(4) . . . . ?
O3 B2 C6 C7 174.1(4) . . . . ?
O4 B2 C6 C7 -1.0(7) . . . . ?
C5 C6 C7 C8 1.9(5) . . . . ?
B2 C6 C7 C8 -175.6(4) . . . . ?
C5 C6 C7 C1 -178.2(4) . . . 3_557 ?
B2 C6 C7 C1 4.2(6) . . . 3_557 ?
C6 C7 C8 C3 -0.9(5) . . . . ?
C1 C7 C8 C3 179.2(4) 3_557 . . . ?
C6 C7 C8 C8 179.1(4) . . . 3_557 ?
C1 C7 C8 C8 -0.8(6) 3_557 . . 3_557 ?
C4 C3 C8 C7 -0.5(5) . . . . ?
C2 C3 C8 C7 178.8(4) . . . . ?
C4 C3 C8 C8 179.5(4) . . . 3_557 ?
C2 C3 C8 C8 -1.2(6) . . . 3_557 ?
B1 O1 C9 C12 147.9(4) . . . . ?
B1 O1 C9 C11 -94.7(4) . . . . ?
B1 O1 C9 C10 23.6(4) . . . . ?
B1 O2 C10 C13 143.3(4) . . . . ?
B1 O2 C10 C14 -97.2(4) . . . . ?
B1 O2 C10 C9 21.6(4) . . . . ?
O1 C9 C10 O2 -27.2(4) . . . . ?
C12 C9 C10 O2 -146.2(4) . . . . ?
C11 C9 C10 O2 85.4(4) . . . . ?
O1 C9 C10 C13 -144.4(4) . . . . ?
C12 C9 C10 C13 96.6(5) . . . . ?
C11 C9 C10 C13 -31.9(5) . . . . ?
O1 C9 C10 C14 86.6(4) . . . . ?
C12 C9 C10 C14 -32.4(5) . . . . ?
C11 C9 C10 C14 -160.8(4) . . . . ?
B2 O3 C15 C17 -100.0(4) . . . . ?
B2 O3 C15 C18 142.1(4) . . . . ?
B2 O3 C15 C16 19.3(5) . . . . ?
B2 O4 C16 C19 146.3(5) . . . . ?
B2 O4 C16 C15 19.0(5) . . . . ?
B2 O4 C16 C20 -98.3(4) . . . . ?
O3 C15 C16 O4 -23.0(5) . . . . ?
C17 C15 C16 O4 91.1(5) . . . . ?
C18 C15 C16 O4 -139.8(4) . . . . ?
O3 C15 C16 C19 -147.4(5) . . . . ?
C17 C15 C16 C19 -33.4(7) . . . . ?
C18 C15 C16 C19 95.7(6) . . . . ?
O3 C15 C16 C20 86.3(5) . . . . ?
C17 C15 C16 C20 -159.6(4) . . . . ?
C18 C15 C16 C20 -30.5(6) . . . . ?

_refine_diff_density_max         0.988
_refine_diff_density_min         -0.364
_refine_diff_density_rms         0.077

