# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_japon
_database_code_depnum_ccdc_archive 'CCDC 1964230'
loop_
_audit_author_name
_audit_author_address
'Ramkumar V'
;Indian Institute of Technology Madras
India
;
_audit_update_record             
;
2019-11-07 deposited with the CCDC.	2020-02-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C11 H15 B O2'
_chemical_formula_weight         190.04

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

_symmetry_cell_setting           ?
_symmetry_space_group_name_H-M   ?

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

_cell_length_a                   29.8653(17)
_cell_length_b                   10.2827(4)
_cell_length_c                   10.8622(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3335.7(3)
_cell_formula_units_Z            12
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.135
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1224
_exptl_absorpt_coefficient_mu    0.075
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.9816
_exptl_absorpt_correction_T_max  0.9889
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13220
_diffrn_reflns_av_R_equivalents  0.0284
_diffrn_reflns_av_sigmaI/netI    0.0321
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         1.36
_diffrn_reflns_theta_max         26.80
_reflns_number_total             3579
_reflns_number_gt                2328
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0886P)²+0.6284P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0(2)
_refine_ls_number_reflns         3579
_refine_ls_number_parameters     256
_refine_ls_number_restraints     97
_refine_ls_R_factor_all          0.0911
_refine_ls_R_factor_gt           0.0545
_refine_ls_wR_factor_ref         0.1644
_refine_ls_wR_factor_gt          0.1385
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.17002(8) 0.2344(3) 0.1530(3) 0.0609(7) Uani 1 1 d . A .
C2 C 0.15637(9) 0.1151(2) 0.1044(3) 0.0641(7) Uani 1 1 d . . .
C3 C 0.12536(9) 0.1142(3) 0.0092(3) 0.0712(8) Uani 1 1 d . . .
H3 H 0.1165 0.0346 -0.0233 0.085 Uiso 1 1 calc R . .
C4 C 0.10719(9) 0.2263(3) -0.0392(3) 0.0709(8) Uani 1 1 d . . .
C5 C 0.12078(9) 0.3418(3) 0.0118(3) 0.0751(8) Uani 1 1 d . . .
H5 H 0.1085 0.4186 -0.0182 0.090 Uiso 1 1 calc R . .
C6 C 0.15224(8) 0.3490(3) 0.1066(3) 0.0669(7) Uani 1 1 d . . .
C7 C 0.17416(10) -0.0126(3) 0.1524(4) 0.0977(11) Uani 1 1 d . . .
H7A H 0.2063 -0.0113 0.1507 0.147 Uiso 1 1 calc R . .
H7B H 0.1634 -0.0823 0.1016 0.147 Uiso 1 1 calc R . .
H7C H 0.1641 -0.0253 0.2355 0.147 Uiso 1 1 calc R . .
C8 C 0.07381(12) 0.2206(4) -0.1404(4) 0.1061(12) Uani 1 1 d . . .
H8A H 0.0777 0.2942 -0.1937 0.159 Uiso 1 1 calc R . .
H8B H 0.0442 0.2220 -0.1063 0.159 Uiso 1 1 calc R . .
H8C H 0.0780 0.1419 -0.1865 0.159 Uiso 1 1 calc R . .
C9 C 0.16456(10) 0.4823(3) 0.1547(4) 0.1013(11) Uani 1 1 d . . .
H9A H 0.1521 0.4939 0.2354 0.152 Uiso 1 1 calc R . .
H9B H 0.1528 0.5476 0.1004 0.152 Uiso 1 1 calc R . .
H9C H 0.1966 0.4900 0.1588 0.152 Uiso 1 1 calc R . .
B1 B 0.20620(10) 0.2391(3) 0.2589(3) 0.0651(8) Uani 1 1 d . . .
O1 O 0.24600(16) 0.1844(7) 0.2536(5) 0.116(2) Uani 0.621(6) 1 d PU A 1
O2 O 0.20254(13) 0.3139(6) 0.3598(5) 0.121(2) Uani 0.621(6) 1 d PU A 1
C10 C 0.2436(3) 0.3030(9) 0.4307(8) 0.106(2) Uani 0.621(6) 1 d PU A 1
H10A H 0.2374 0.2725 0.5135 0.127 Uiso 0.621(6) 1 calc PR A 1
H10B H 0.2588 0.3863 0.4357 0.127 Uiso 0.621(6) 1 calc PR A 1
C11 C 0.2715(4) 0.2068(10) 0.3624(11) 0.102(3) Uani 0.621(6) 1 d PU A 1
H11A H 0.3007 0.2423 0.3430 0.122 Uiso 0.621(6) 1 calc PR A 1
H11B H 0.2752 0.1273 0.4093 0.122 Uiso 0.621(6) 1 calc PR A 1
O1' O 0.2440(3) 0.2927(11) 0.2504(8) 0.119(3) Uani 0.379(6) 1 d PU A 2
O2' O 0.2033(2) 0.1679(9) 0.3630(7) 0.123(3) Uani 0.379(6) 1 d PU A 2
C10' C 0.2452(5) 0.1841(16) 0.4293(13) 0.113(3) Uani 0.379(6) 1 d PU A 2
H10C H 0.2399 0.2149 0.5124 0.135 Uiso 0.379(6) 1 calc PR A 2
H10D H 0.2616 0.1027 0.4331 0.135 Uiso 0.379(6) 1 calc PR A 2
C11' C 0.2687(6) 0.2767(18) 0.3605(19) 0.105(4) Uani 0.379(6) 1 d PU A 2
H11C H 0.2706 0.3583 0.4050 0.125 Uiso 0.379(6) 1 calc PR A 2
H11D H 0.2988 0.2465 0.3427 0.125 Uiso 0.379(6) 1 calc PR A 2
C12 C 0.5000 0.2264(2) 0.9183(3) 0.0409(7) Uani 1 2 d S . .
C13 C 0.45977(7) 0.27403(19) 0.8704(2) 0.0482(6) Uani 1 1 d . . .
C14 C 0.46037(8) 0.3649(2) 0.7767(2) 0.0552(6) Uani 1 1 d . . .
H14 H 0.4333 0.3958 0.7458 0.066 Uiso 1 1 calc R . .
C15 C 0.5000 0.4113(3) 0.7275(3) 0.0559(9) Uani 1 2 d S . .
C16 C 0.41525(9) 0.2292(3) 0.9186(3) 0.0746(8) Uani 1 1 d . . .
H16A H 0.3918 0.2807 0.8827 0.112 Uiso 1 1 calc R . .
H16B H 0.4146 0.2387 1.0065 0.112 Uiso 1 1 calc R . .
H16C H 0.4108 0.1395 0.8975 0.112 Uiso 1 1 calc R . .
C17 C 0.5000 0.5095(4) 0.6241(4) 0.0876(13) Uani 1 2 d S . .
H17A H 0.5155 0.4741 0.5543 0.131 Uiso 0.50 1 calc PR . .
H17B H 0.5148 0.5875 0.6507 0.131 Uiso 0.50 1 calc PR . .
H17C H 0.4697 0.5295 0.6014 0.131 Uiso 0.50 1 calc PR . .
B2 B 0.5000 0.1191(3) 1.0206(4) 0.0477(8) Uani 1 2 d S . .
O4 O 0.47744(16) 0.1292(4) 1.1275(4) 0.1030(16) Uani 0.50 1 d PU B -1
O3 O 0.48361(15) 0.0031(4) 1.0069(4) 0.102(2) Uani 0.50 1 d PU B -1
C18 C 0.5114(3) -0.0724(5) 1.1188(6) 0.093(3) Uani 0.50 1 d PU B -1
H18A H 0.5065 -0.1655 1.1236 0.111 Uiso 0.50 1 calc PR B -1
H18B H 0.5428 -0.0496 1.1257 0.111 Uiso 0.50 1 calc PR B -1
C19 C 0.4804(2) 0.0079(6) 1.1938(6) 0.0842(19) Uani 0.50 1 d PU B -1
H19A H 0.4513 -0.0331 1.2003 0.101 Uiso 0.50 1 calc PR B -1
H19B H 0.4923 0.0215 1.2759 0.101 Uiso 0.50 1 calc PR B -1


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C6 1.387(4) . ?
C1 C2 1.396(4) . ?
C1 B1 1.579(4) . ?
C2 C3 1.388(4) . ?
C2 C7 1.510(4) . ?
C3 C4 1.379(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.371(4) . ?
C4 C8 1.485(5) . ?
C5 C6 1.397(4) . ?
C5 H5 0.9300 . ?
C6 C9 1.512(4) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
B1 O1' 1.258(7) . ?
B1 O1 1.316(5) . ?
B1 O2 1.343(6) . ?
B1 O2' 1.350(7) . ?
O1 C11 1.424(11) . ?
O2 C10 1.454(7) . ?
C10 C11 1.489(14) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
O1' C11' 1.415(18) . ?
O2' C10' 1.454(12) . ?
C10' C11' 1.40(2) . ?
C10' H10C 0.9700 . ?
C10' H10D 0.9700 . ?
C11' H11C 0.9700 . ?
C11' H11D 0.9700 . ?
C12 C13 1.398(3) 4_655 ?
C12 C13 1.398(3) . ?
C12 B2 1.566(5) . ?
C13 C14 1.382(3) . ?
C13 C16 1.501(4) . ?
C14 C15 1.384(3) . ?
C14 H14 0.9300 . ?
C15 C14 1.384(3) 4_655 ?
C15 C17 1.511(5) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
B2 O3 1.298(5) . ?
B2 O3 1.298(5) 4_655 ?
B2 O4 1.346(5) 4_655 ?
B2 O4 1.346(5) . ?
O4 C19 1.443(6) . ?
O3 C18 1.663(7) . ?
C18 C19 1.484(8) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?

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
C6 C1 C2 119.8(2) . . ?
C6 C1 B1 120.0(2) . . ?
C2 C1 B1 120.1(2) . . ?
C3 C2 C1 118.8(2) . . ?
C3 C2 C7 119.1(3) . . ?
C1 C2 C7 122.1(3) . . ?
C4 C3 C2 122.7(3) . . ?
C4 C3 H3 118.6 . . ?
C2 C3 H3 118.6 . . ?
C5 C4 C3 117.0(3) . . ?
C5 C4 C8 122.1(3) . . ?
C3 C4 C8 120.9(3) . . ?
C4 C5 C6 122.9(3) . . ?
C4 C5 H5 118.5 . . ?
C6 C5 H5 118.5 . . ?
C1 C6 C5 118.7(2) . . ?
C1 C6 C9 123.5(3) . . ?
C5 C6 C9 117.8(3) . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O1' B1 O1 51.3(5) . . ?
O1' B1 O2 83.2(6) . . ?
O1 B1 O2 110.7(3) . . ?
O1' B1 O2' 110.9(5) . . ?
O1 B1 O2' 82.1(5) . . ?
O2 B1 O2' 67.8(5) . . ?
O1' B1 C1 125.0(4) . . ?
O1 B1 C1 124.9(3) . . ?
O2 B1 C1 123.8(3) . . ?
O2' B1 C1 123.4(3) . . ?
B1 O1 C11 112.1(5) . . ?
B1 O2 C10 108.6(4) . . ?
O2 C10 C11 105.0(6) . . ?
O2 C10 H10A 110.8 . . ?
C11 C10 H10A 110.8 . . ?
O2 C10 H10B 110.8 . . ?
C11 C10 H10B 110.8 . . ?
H10A C10 H10B 108.8 . . ?
O1 C11 C10 102.9(6) . . ?
O1 C11 H11A 111.2 . . ?
C10 C11 H11A 111.2 . . ?
O1 C11 H11B 111.2 . . ?
C10 C11 H11B 111.2 . . ?
H11A C11 H11B 109.1 . . ?
B1 O1' C11' 110.8(9) . . ?
B1 O2' C10' 107.3(7) . . ?
C11' C10' O2' 104.2(10) . . ?
C11' C10' H10C 110.9 . . ?
O2' C10' H10C 110.9 . . ?
C11' C10' H10D 110.9 . . ?
O2' C10' H10D 110.9 . . ?
H10C C10' H10D 108.9 . . ?
O1' C11' C10' 105.6(11) . . ?
O1' C11' H11C 110.6 . . ?
C10' C11' H11C 110.6 . . ?
O1' C11' H11D 110.6 . . ?
C10' C11' H11D 110.6 . . ?
H11C C11' H11D 108.7 . . ?
C13 C12 C13 118.5(3) 4_655 . ?
C13 C12 B2 120.73(13) 4_655 . ?
C13 C12 B2 120.73(13) . . ?
C14 C13 C12 120.0(2) . . ?
C14 C13 C16 118.4(2) . . ?
C12 C13 C16 121.6(2) . . ?
C13 C14 C15 121.9(2) . . ?
C13 C14 H14 119.0 . . ?
C15 C14 H14 119.0 . . ?
C14 C15 C14 117.6(3) . 4_655 ?
C14 C15 C17 121.19(14) . . ?
C14 C15 C17 121.19(14) 4_655 . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
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 . . ?
O3 B2 O3 44.3(4) . 4_655 ?
O3 B2 O4 111.0(3) . 4_655 ?
O3 B2 O4 89.0(3) 4_655 4_655 ?
O3 B2 O4 89.0(3) . . ?
O3 B2 O4 111.0(3) 4_655 . ?
O4 B2 O4 60.1(5) 4_655 . ?
O3 B2 C12 124.5(3) . . ?
O3 B2 C12 124.5(3) 4_655 . ?
O4 B2 C12 123.9(3) 4_655 . ?
O4 B2 C12 123.9(3) . . ?
B2 O4 C19 109.4(4) . . ?
B2 O3 C18 99.0(4) . . ?
C19 C18 O3 80.3(4) . . ?
C19 C18 H18A 115.2 . . ?
O3 C18 H18A 115.2 . . ?
C19 C18 H18B 115.2 . . ?
O3 C18 H18B 115.2 . . ?
H18A C18 H18B 112.2 . . ?
O4 C19 C18 104.2(4) . . ?
O4 C19 H19A 110.9 . . ?
C18 C19 H19A 110.9 . . ?
O4 C19 H19B 110.9 . . ?
C18 C19 H19B 110.9 . . ?
H19A C19 H19B 108.9 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 0.6(4) . . . . ?
B1 C1 C2 C3 -178.4(2) . . . . ?
C6 C1 C2 C7 -179.2(3) . . . . ?
B1 C1 C2 C7 1.8(4) . . . . ?
C1 C2 C3 C4 -0.4(4) . . . . ?
C7 C2 C3 C4 179.4(3) . . . . ?
C2 C3 C4 C5 -0.6(4) . . . . ?
C2 C3 C4 C8 -179.5(3) . . . . ?
C3 C4 C5 C6 1.3(4) . . . . ?
C8 C4 C5 C6 -179.8(3) . . . . ?
C2 C1 C6 C5 0.1(4) . . . . ?
B1 C1 C6 C5 179.1(2) . . . . ?
C2 C1 C6 C9 179.1(3) . . . . ?
B1 C1 C6 C9 -1.9(4) . . . . ?
C4 C5 C6 C1 -1.1(4) . . . . ?
C4 C5 C6 C9 179.8(3) . . . . ?
C6 C1 B1 O1' -61.2(8) . . . . ?
C2 C1 B1 O1' 117.8(8) . . . . ?
C6 C1 B1 O1 -124.9(5) . . . . ?
C2 C1 B1 O1 54.1(6) . . . . ?
C6 C1 B1 O2 46.0(5) . . . . ?
C2 C1 B1 O2 -135.0(4) . . . . ?
C6 C1 B1 O2' 130.0(6) . . . . ?
C2 C1 B1 O2' -51.0(7) . . . . ?
O1' B1 O1 C11 69.5(8) . . . . ?
O2 B1 O1 C11 7.2(9) . . . . ?
O2' B1 O1 C11 -55.4(8) . . . . ?
C1 B1 O1 C11 179.1(7) . . . . ?
O1' B1 O2 C10 -46.6(7) . . . . ?
O1 B1 O2 C10 -2.6(7) . . . . ?
O2' B1 O2 C10 69.2(6) . . . . ?
C1 B1 O2 C10 -174.6(5) . . . . ?
B1 O2 C10 C11 -2.7(10) . . . . ?
B1 O1 C11 C10 -8.4(12) . . . . ?
O2 C10 C11 O1 6.4(12) . . . . ?
O1 B1 O1' C11' -69.0(11) . . . . ?
O2 B1 O1' C11' 54.5(12) . . . . ?
O2' B1 O1' C11' -8.6(15) . . . . ?
C1 B1 O1' C11' -178.6(10) . . . . ?
O1' B1 O2' C10' 2.0(12) . . . . ?
O1 B1 O2' C10' 45.2(10) . . . . ?
O2 B1 O2' C10' -71.1(10) . . . . ?
C1 B1 O2' C10' 172.1(9) . . . . ?
B1 O2' C10' C11' 5.3(19) . . . . ?
B1 O1' C11' C10' 12(2) . . . . ?
O2' C10' C11' O1' -10(2) . . . . ?
C13 C12 C13 C14 0.7(4) 4_655 . . . ?
B2 C12 C13 C14 -177.4(3) . . . . ?
C13 C12 C13 C16 -179.0(2) 4_655 . . . ?
B2 C12 C13 C16 2.9(4) . . . . ?
C12 C13 C14 C15 0.1(4) . . . . ?
C16 C13 C14 C15 179.8(2) . . . . ?
C13 C14 C15 C14 -0.9(5) . . . 4_655 ?
C13 C14 C15 C17 179.3(3) . . . . ?
C13 C12 B2 O3 -116.3(3) 4_655 . . . ?
C13 C12 B2 O3 61.8(4) . . . . ?
C13 C12 B2 O3 -61.8(4) 4_655 . . 4_655 ?
C13 C12 B2 O3 116.3(3) . . . 4_655 ?
C13 C12 B2 O4 53.9(5) 4_655 . . 4_655 ?
C13 C12 B2 O4 -128.0(3) . . . 4_655 ?
C13 C12 B2 O4 128.0(3) 4_655 . . . ?
C13 C12 B2 O4 -53.9(5) . . . . ?
O3 B2 O4 C19 41.4(5) . . . . ?
O3 B2 O4 C19 2.1(6) 4_655 . . . ?
O4 B2 O4 C19 -73.8(5) 4_655 . . . ?
C12 B2 O4 C19 173.4(4) . . . . ?
O3 B2 O3 C18 52.5(4) 4_655 . . . ?
O4 B2 O3 C18 -12.6(5) 4_655 . . . ?
O4 B2 O3 C18 -69.8(4) . . . . ?
C12 B2 O3 C18 158.7(3) . . . . ?
B2 O3 C18 C19 71.2(4) . . . . ?
B2 O4 C19 C18 5.3(7) . . . . ?
O3 C18 C19 O4 -37.6(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.80
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.202
_refine_diff_density_min         -0.167
_refine_diff_density_rms         0.034
