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

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

data_zyh01_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2022111'
loop_
_audit_author_name
_audit_author_address
'Yahui Zhang'
;Dalian University of Techonology
China
;
_audit_update_record             
;
2020-08-07 deposited with the CCDC.	2021-01-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C25 H36 B2 O4'
_chemical_formula_weight         422.16

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'

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

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

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

_cell_length_a                   6.5462(6)
_cell_length_b                   27.280(2)
_cell_length_c                   14.4106(12)
_cell_angle_alpha                90
_cell_angle_beta                 90.549(3)
_cell_angle_gamma                90
_cell_volume                     2573.4(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    7394
_cell_measurement_theta_min      2.65
_cell_measurement_theta_max      22.27

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.090
_exptl_crystal_F_000             912
_exptl_transmission_factor_min   2.567
_exptl_transmission_factor_max   2.985
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.250
_exptl_absorpt_coefficient_mu    0.070
_shelx_estimated_absorpt_T_min   0.982
_shelx_estimated_absorpt_T_max   0.983
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            21174
_diffrn_reflns_av_unetI/netI     0.0420
_diffrn_reflns_av_R_equivalents  0.0551
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.649
_diffrn_reflns_theta_max         23.698
_diffrn_reflns_theta_full        23.698
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             3893
_reflns_number_gt                2526
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1663P)²+8.0764P] 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         3893
_refine_ls_number_parameters     308
_refine_ls_number_restraints     103
_refine_ls_R_factor_all          0.1952
_refine_ls_R_factor_gt           0.1499
_refine_ls_wR_factor_ref         0.3965
_refine_ls_wR_factor_gt          0.3733
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_restrained_S_all      1.007
_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 0.7143(7) 0.6272(2) 0.5050(3) 0.108(2) Uani 1 1 d . . . . .
O2 O 0.4051(6) 0.62971(18) 0.5661(3) 0.0789(14) Uani 1 1 d . . . . .
O3 O 0.5574(8) 0.74827(18) 0.5265(3) 0.0911(16) Uani 1 1 d . . . . .
O4 O 0.3411(10) 0.7963(2) 0.4527(5) 0.132(3) Uani 1 1 d . . . . .
B1 B 0.5222(10) 0.6405(3) 0.4925(5) 0.0600(18) Uani 1 1 d . . . . .
B2 B 0.4028(14) 0.7506(3) 0.4635(6) 0.079(2) Uani 1 1 d . . . . .
C1 C 0.4214(13) 0.6004(2) 0.2688(4) 0.0829(19) Uani 1 1 d . U . . .
H1A H 0.5514 0.6091 0.2494 0.099 Uiso 1 1 calc R U . . .
C9 C 0.3016(13) 0.5607(2) 0.2172(4) 0.0754(18) Uani 1 1 d . U . . .
C8 C 0.3778(17) 0.5391(4) 0.1385(6) 0.124(3) Uani 1 1 d . U . . .
H8A H 0.5051 0.5481 0.1159 0.149 Uiso 1 1 calc R U . . .
C7 C 0.266(2) 0.5054(4) 0.0956(8) 0.144(4) Uani 1 1 d . U . . .
H7A H 0.3199 0.4895 0.0442 0.173 Uiso 1 1 calc R U . . .
C6 C 0.070(2) 0.4930(3) 0.1253(7) 0.130(4) Uani 1 1 d . U . . .
H6A H -0.0026 0.4698 0.0912 0.156 Uiso 1 1 calc R U . . .
C5 C -0.0164(17) 0.5122(3) 0.1987(7) 0.116(3) Uani 1 1 d . U . . .
H5 H -0.1467 0.5031 0.2172 0.139 Uiso 1 1 calc R U . . .
C10 C 0.1090(13) 0.5502(3) 0.2518(4) 0.0814(18) Uani 1 1 d . U . . .
C4 C 0.0363(12) 0.5710(3) 0.3284(6) 0.089(2) Uani 1 1 d . U . . .
H4A H -0.0882 0.5609 0.3525 0.107 Uiso 1 1 calc R U . . .
C3 C 0.1426(10) 0.6060(2) 0.3698(5) 0.0724(17) Uani 1 1 d . U . . .
H3A H 0.0834 0.6208 0.4211 0.087 Uiso 1 1 calc R U . . .
C2 C 0.3363(8) 0.62298(19) 0.3439(3) 0.0502(13) Uani 1 1 d . U . . .
C11 C 0.4393(9) 0.6638(2) 0.3985(4) 0.0575(15) Uani 1 1 d . . . . .
C12 C 0.6230(12) 0.6842(3) 0.3415(5) 0.093(2) Uani 1 1 d . . . . .
H12A H 0.7177 0.6582 0.3294 0.139 Uiso 1 1 calc R U . . .
H12B H 0.5735 0.6975 0.2839 0.139 Uiso 1 1 calc R U . . .
H12C H 0.6905 0.7096 0.3765 0.139 Uiso 1 1 calc R U . . .
C13 C 0.2909(12) 0.7050(2) 0.4174(5) 0.085(2) Uani 1 1 d . . . . .
H13A H 0.1849 0.6934 0.4585 0.102 Uiso 1 1 calc R U . . .
H13B H 0.2265 0.7151 0.3596 0.102 Uiso 1 1 calc R U . . .
C14 C 0.7390(11) 0.6054(4) 0.5945(6) 0.116(4) Uani 1 1 d . . . . .
C16 C 0.875(2) 0.6396(7) 0.6468(8) 0.217(9) Uani 1 1 d . . . . .
H16A H 0.8982 0.6271 0.7083 0.325 Uiso 1 1 calc R U . . .
H16B H 1.0030 0.6425 0.6154 0.325 Uiso 1 1 calc R U . . .
H16C H 0.8113 0.6712 0.6505 0.325 Uiso 1 1 calc R U . . .
C17 C 0.872(2) 0.5625(5) 0.5912(10) 0.188(6) Uani 1 1 d . . . . .
H17A H 0.8852 0.5487 0.6523 0.282 Uiso 1 1 calc R U . . .
H17B H 0.8135 0.5385 0.5500 0.282 Uiso 1 1 calc R U . . .
H17C H 1.0040 0.5719 0.5692 0.282 Uiso 1 1 calc R U . . .
C20 C 0.6015(13) 0.7962(3) 0.5640(5) 0.095(2) Uani 1 1 d . . . . .
C21 C 0.4945(18) 0.8299(4) 0.4974(8) 0.124(3) Uani 1 1 d . U . . .
C22 C 0.8224(14) 0.7996(4) 0.5847(8) 0.145(4) Uani 1 1 d . . . . .
H22A H 0.8531 0.8314 0.6097 0.218 Uiso 1 1 calc R U . . .
H22B H 0.8598 0.7749 0.6292 0.218 Uiso 1 1 calc R U . . .
H22C H 0.8981 0.7947 0.5287 0.218 Uiso 1 1 calc R U . . .
C23 C 0.494(2) 0.7993(6) 0.6594(7) 0.203(7) Uani 1 1 d . . . . .
H23A H 0.5198 0.8308 0.6867 0.305 Uiso 1 1 calc R U . . .
H23B H 0.3497 0.7949 0.6508 0.305 Uiso 1 1 calc R U . . .
H23C H 0.5465 0.7741 0.6995 0.305 Uiso 1 1 calc R U . . .
C24 C 0.635(3) 0.8467(7) 0.4303(12) 0.228(7) Uani 1 1 d . U . . .
H24A H 0.5659 0.8682 0.3876 0.343 Uiso 1 1 calc R U . . .
H24B H 0.7441 0.8640 0.4606 0.343 Uiso 1 1 calc R U . . .
H24C H 0.6889 0.8192 0.3971 0.343 Uiso 1 1 calc R U . . .
C25 C 0.366(2) 0.8713(5) 0.5348(12) 0.186(5) Uani 1 1 d . U . . .
H25A H 0.2731 0.8587 0.5800 0.280 Uiso 1 1 calc R U . . .
H25B H 0.4534 0.8954 0.5633 0.280 Uiso 1 1 calc R U . . .
H25C H 0.2904 0.8861 0.4848 0.280 Uiso 1 1 calc R U . . .
C15 C 0.535(6) 0.5983(12) 0.627(2) 0.111(5) Uani 0.528(11) 1 d . U P A 1
C18 C 0.475(3) 0.6035(10) 0.7247(12) 0.118(5) Uani 0.528(11) 1 d . U P A 1
H18A H 0.3314 0.5971 0.7304 0.176 Uiso 0.528(11) 1 calc R U P A 1
H18B H 0.5506 0.5804 0.7619 0.176 Uiso 0.528(11) 1 calc R U P A 1
H18C H 0.5042 0.6362 0.7455 0.176 Uiso 0.528(11) 1 calc R U P A 1
C19 C 0.459(3) 0.5429(7) 0.5972(12) 0.124(5) Uani 0.528(11) 1 d . U P A 1
H19A H 0.3226 0.5376 0.6184 0.186 Uiso 0.528(11) 1 calc R U P A 1
H19B H 0.4629 0.5396 0.5309 0.186 Uiso 0.528(11) 1 calc R U P A 1
H19C H 0.5490 0.5191 0.6251 0.186 Uiso 0.528(11) 1 calc R U P A 1
C15' C 0.535(6) 0.6150(13) 0.642(3) 0.111(5) Uani 0.472(11) 1 d . U P A 2
C18' C 0.433(3) 0.5708(10) 0.6908(16) 0.118(5) Uani 0.472(11) 1 d . U P A 2
H18D H 0.5181 0.5603 0.7419 0.177 Uiso 0.472(11) 1 calc R U P A 2
H18E H 0.3018 0.5803 0.7134 0.177 Uiso 0.472(11) 1 calc R U P A 2
H18F H 0.4178 0.5443 0.6475 0.177 Uiso 0.472(11) 1 calc R U P A 2
C19' C 0.522(3) 0.6619(9) 0.7133(12) 0.121(5) Uani 0.472(11) 1 d . U P A 2
H19D H 0.6048 0.6556 0.7672 0.181 Uiso 0.472(11) 1 calc R U P A 2
H19G H 0.5699 0.6909 0.6827 0.181 Uiso 0.472(11) 1 calc R U P A 2
H19E H 0.3824 0.6666 0.7316 0.181 Uiso 0.472(11) 1 calc R U P A 2


_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 1.319(8) . ?
O1 C14 1.428(8) . ?
O2 B1 1.347(8) . ?
O2 C15' 1.43(4) . ?
O2 C15 1.48(3) . ?
O3 B2 1.355(9) . ?
O3 C20 1.443(9) . ?
O4 B2 1.320(9) . ?
O4 C21 1.500(10) . ?
B1 C11 1.588(8) . ?
B2 C13 1.585(11) . ?
C1 C2 1.369(8) . ?
C1 C9 1.527(10) . ?
C1 H1A 0.9300 . ?
C9 C8 1.374(10) . ?
C9 C10 1.390(10) . ?
C8 C7 1.324(14) . ?
C8 H8A 0.9300 . ?
C7 C6 1.396(16) . ?
C7 H7A 0.9300 . ?
C6 C5 1.315(15) . ?
C6 H6A 0.9300 . ?
C5 C10 1.524(11) . ?
C5 H5 0.9300 . ?
C10 C4 1.333(10) . ?
C4 C3 1.320(9) . ?
C4 H4A 0.9300 . ?
C3 C2 1.404(8) . ?
C3 H3A 0.9300 . ?
C2 C11 1.518(8) . ?
C11 C13 1.512(8) . ?
C11 C12 1.565(9) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.43(4) . ?
C14 C17 1.461(14) . ?
C14 C16 1.488(16) . ?
C14 C15' 1.53(4) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C20 C22 1.477(12) . ?
C20 C21 1.497(13) . ?
C20 C23 1.552(13) . ?
C21 C24 1.416(16) . ?
C21 C25 1.510(15) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C15 C18 1.47(4) . ?
C15 C19 1.65(4) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C15' C18' 1.55(5) . ?
C15' C19' 1.64(4) . ?
C18' H18D 0.9600 . ?
C18' H18E 0.9600 . ?
C18' H18F 0.9600 . ?
C19' H19D 0.9600 . ?
C19' H19G 0.9600 . ?
C19' H19E 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
B1 O1 C14 109.7(5) . . ?
B1 O2 C15' 108.8(18) . . ?
B1 O2 C15 105.3(15) . . ?
B2 O3 C20 110.7(6) . . ?
B2 O4 C21 108.8(7) . . ?
O1 B1 O2 112.5(5) . . ?
O1 B1 C11 122.9(6) . . ?
O2 B1 C11 124.5(5) . . ?
O4 B2 O3 110.4(7) . . ?
O4 B2 C13 123.5(7) . . ?
O3 B2 C13 125.7(7) . . ?
C2 C1 C9 119.6(7) . . ?
C2 C1 H1A 120.2 . . ?
C9 C1 H1A 120.2 . . ?
C8 C9 C10 123.1(8) . . ?
C8 C9 C1 121.1(8) . . ?
C10 C9 C1 115.7(6) . . ?
C7 C8 C9 118.6(11) . . ?
C7 C8 H8A 120.7 . . ?
C9 C8 H8A 120.7 . . ?
C8 C7 C6 122.0(11) . . ?
C8 C7 H7A 119.0 . . ?
C6 C7 H7A 119.0 . . ?
C5 C6 C7 123.6(10) . . ?
C5 C6 H6A 118.2 . . ?
C7 C6 H6A 118.2 . . ?
C6 C5 C10 116.1(10) . . ?
C6 C5 H5 121.9 . . ?
C10 C5 H5 121.9 . . ?
C4 C10 C9 122.9(7) . . ?
C4 C10 C5 120.7(8) . . ?
C9 C10 C5 116.4(7) . . ?
C3 C4 C10 119.4(8) . . ?
C3 C4 H4A 120.3 . . ?
C10 C4 H4A 120.3 . . ?
C4 C3 C2 126.3(7) . . ?
C4 C3 H3A 116.8 . . ?
C2 C3 H3A 116.8 . . ?
C1 C2 C3 115.9(6) . . ?
C1 C2 C11 123.9(6) . . ?
C3 C2 C11 120.2(5) . . ?
C13 C11 C2 110.8(5) . . ?
C13 C11 C12 109.2(6) . . ?
C2 C11 C12 109.2(5) . . ?
C13 C11 B1 111.0(5) . . ?
C2 C11 B1 107.1(5) . . ?
C12 C11 B1 109.4(5) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 B2 111.3(6) . . ?
C11 C13 H13A 109.4 . . ?
B2 C13 H13A 109.4 . . ?
C11 C13 H13B 109.4 . . ?
B2 C13 H13B 109.4 . . ?
H13A C13 H13B 108.0 . . ?
O1 C14 C15 104.6(13) . . ?
O1 C14 C17 111.5(9) . . ?
C15 C14 C17 117.4(16) . . ?
O1 C14 C16 105.0(9) . . ?
C15 C14 C16 118.4(16) . . ?
C17 C14 C16 99.5(10) . . ?
O1 C14 C15' 103.9(14) . . ?
C17 C14 C15' 132.5(16) . . ?
C16 C14 C15' 100.8(16) . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O3 C20 C22 108.9(7) . . ?
O3 C20 C21 103.0(6) . . ?
C22 C20 C21 122.8(9) . . ?
O3 C20 C23 106.8(9) . . ?
C22 C20 C23 105.6(8) . . ?
C21 C20 C23 108.7(9) . . ?
C24 C21 C20 109.5(11) . . ?
C24 C21 O4 109.8(10) . . ?
C20 C21 O4 102.0(7) . . ?
C24 C21 C25 111.6(12) . . ?
C20 C21 C25 119.3(10) . . ?
O4 C21 C25 103.7(9) . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C21 C25 H25A 109.5 . . ?
C21 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C21 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C14 C15 C18 124(3) . . ?
C14 C15 O2 105(2) . . ?
C18 C15 O2 111(2) . . ?
C14 C15 C19 109(2) . . ?
C18 C15 C19 105(3) . . ?
O2 C15 C19 102(2) . . ?
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 . . ?
C15 C19 H19A 109.5 . . ?
C15 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C15 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O2 C15' C14 103(2) . . ?
O2 C15' C18' 108(3) . . ?
C14 C15' C18' 117(3) . . ?
O2 C15' C19' 103(2) . . ?
C14 C15' C19' 118(3) . . ?
C18' C15' C19' 107(3) . . ?
C15' C18' H18D 109.5 . . ?
C15' C18' H18E 109.5 . . ?
H18D C18' H18E 109.5 . . ?
C15' C18' H18F 109.5 . . ?
H18D C18' H18F 109.5 . . ?
H18E C18' H18F 109.5 . . ?
C15' C19' H19D 109.5 . . ?
C15' C19' H19G 109.5 . . ?
H19D C19' H19G 109.5 . . ?
C15' C19' H19E 109.5 . . ?
H19D C19' H19E 109.5 . . ?
H19G C19' H19E 109.5 . . ?

_refine_diff_density_max         0.974
_refine_diff_density_min         -0.359
_refine_diff_density_rms         0.076

