# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_lib025
_database_code_depnum_ccdc_archive 'CCDC 2299440'
loop_
_audit_author_name
_audit_author_address
'Yuqiao Zhou'
;College of Chemistry, Sichuan University, Chengdu, China
China
;
_audit_update_record             
;
2023-10-05 deposited with the CCDC.	2024-03-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/1
_shelx_SHELXL_version_number     2019/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C23 H42 O6 Si'
_chemical_formula_sum            'C23 H42 O6 Si'
_chemical_formula_weight         442.65

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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_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, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   10.7582(2)
_cell_length_b                   12.2091(2)
_cell_length_c                   18.8089(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2470.51(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9842
_cell_measurement_theta_min      4.32
_cell_measurement_theta_max      79.43

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.190
_exptl_crystal_F_000             968
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.797
_exptl_crystal_size_mid          0.177
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    1.115
_shelx_estimated_absorpt_T_min   0.470
_shelx_estimated_absorpt_T_max   0.851
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.5042
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'SADABS (Krause et al., 2015)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Venture Photon II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            16699
_diffrn_reflns_av_unetI/netI     0.0504
_diffrn_reflns_av_R_equivalents  0.0576
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         4.317
_diffrn_reflns_theta_max         79.420
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             5182
_reflns_number_gt                5028
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.738
_reflns_Friedel_fraction_max     0.940
_reflns_Friedel_fraction_full    0.994

_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 APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_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)+(0.0610P)²+0.5596P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
 Flack x determined using 2088 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   0.058(12)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         5182
_refine_ls_number_parameters     285
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0415
_refine_ls_R_factor_gt           0.0404
_refine_ls_wR_factor_ref         0.1060
_refine_ls_wR_factor_gt          0.1046
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Si Si 0.35303(5) 0.76703(4) 0.70851(3) 0.01800(15) Uani 1 1 d . . . . .
O1 O 0.28317(14) 0.65566(12) 0.67735(8) 0.0177(3) Uani 1 1 d . . . . .
O2 O 0.06540(15) 0.65502(12) 0.74081(8) 0.0198(3) Uani 1 1 d . . . . .
O3 O 0.07580(16) 0.46907(12) 0.73915(8) 0.0202(3) Uani 1 1 d . . . . .
O4 O -0.0414(2) 0.80228(14) 0.64433(11) 0.0303(4) Uani 1 1 d D . . . .
H4O H -0.040(6) 0.818(5) 0.6881(15) 0.092(19) Uiso 1 1 d D . . . .
O5 O 0.08931(17) 0.26398(14) 0.54821(10) 0.0269(4) Uani 1 1 d . . . . .
O6 O 0.2597(2) 0.20498(15) 0.48688(11) 0.0333(4) Uani 1 1 d . . . . .
C1 C 0.5104(2) 0.7215(2) 0.74304(17) 0.0311(6) Uani 1 1 d . . . . .
C2 C 0.5760(3) 0.6498(3) 0.6880(2) 0.0547(10) Uani 1 1 d . . . . .
H2A H 0.656396 0.625814 0.706859 0.082 Uiso 1 1 calc R U . . .
H2B H 0.589120 0.692027 0.644319 0.082 Uiso 1 1 calc R U . . .
H2C H 0.524440 0.585628 0.677495 0.082 Uiso 1 1 calc R U . . .
C3 C 0.5908(3) 0.8235(3) 0.7575(3) 0.0544(10) Uani 1 1 d . . . . .
H3A H 0.672056 0.800692 0.775879 0.082 Uiso 1 1 calc R U . . .
H3B H 0.549371 0.870183 0.792622 0.082 Uiso 1 1 calc R U . . .
H3C H 0.602273 0.864505 0.713186 0.082 Uiso 1 1 calc R U . . .
C4 C 0.4970(3) 0.6576(3) 0.8126(2) 0.0517(9) Uani 1 1 d . . . . .
H4A H 0.579219 0.633987 0.828980 0.077 Uiso 1 1 calc R U . . .
H4B H 0.444379 0.593205 0.804684 0.077 Uiso 1 1 calc R U . . .
H4C H 0.458771 0.704636 0.848727 0.077 Uiso 1 1 calc R U . . .
C5 C 0.2626(2) 0.83491(19) 0.78073(14) 0.0268(5) Uani 1 1 d . . . . .
H5A H 0.176926 0.846812 0.764762 0.040 Uiso 1 1 calc R U . . .
H5B H 0.300902 0.905512 0.792315 0.040 Uiso 1 1 calc R U . . .
H5C H 0.262387 0.788088 0.823045 0.040 Uiso 1 1 calc R U . . .
C6 C 0.3729(3) 0.8698(2) 0.63554(15) 0.0304(5) Uani 1 1 d . . . . .
H6A H 0.292735 0.882520 0.612239 0.046 Uiso 1 1 calc R U . . .
H6B H 0.432720 0.841939 0.600641 0.046 Uiso 1 1 calc R U . . .
H6C H 0.403742 0.938785 0.655529 0.046 Uiso 1 1 calc R U . . .
C11 C -0.0545(2) 0.68720(19) 0.63771(14) 0.0246(5) Uani 1 1 d . . . . .
H11A H -0.065392 0.668337 0.586899 0.030 Uiso 1 1 calc R U . . .
H11B H -0.130125 0.663586 0.663440 0.030 Uiso 1 1 calc R U . . .
C12 C 0.0582(2) 0.62473(16) 0.66724(11) 0.0169(4) Uani 1 1 d . . . . .
C13 C 0.18100(19) 0.65878(17) 0.62932(11) 0.0169(4) Uani 1 1 d . . . . .
H13 H 0.171032 0.736342 0.613220 0.020 Uiso 1 1 calc R U . . .
C14 C 0.2135(2) 0.58870(18) 0.56263(12) 0.0196(4) Uani 1 1 d . . . . .
C15 C 0.2199(2) 0.46643(18) 0.58591(12) 0.0186(4) Uani 1 1 d . . . . .
H15 H 0.282827 0.459897 0.624820 0.022 Uiso 1 1 calc R U . . .
C16 C 0.2587(2) 0.3896(2) 0.52512(13) 0.0256(5) Uani 1 1 d . . . . .
H16A H 0.217757 0.413007 0.480486 0.031 Uiso 1 1 calc R U . . .
H16B H 0.349718 0.394082 0.518077 0.031 Uiso 1 1 calc R U . . .
C17 C 0.2226(2) 0.2728(2) 0.54180(13) 0.0242(5) Uani 1 1 d . . . . .
H17 H 0.262910 0.249067 0.587160 0.029 Uiso 1 1 calc R U . . .
C19 C 0.0396(2) 0.33955(19) 0.59367(13) 0.0215(4) Uani 1 1 d . . . . .
H19 H -0.041540 0.325728 0.611495 0.026 Uiso 1 1 calc R U . . .
C20 C 0.0957(2) 0.43073(17) 0.61488(11) 0.0174(4) Uani 1 1 d . . . . .
C21 C 0.0326(2) 0.49969(16) 0.66944(11) 0.0169(4) Uani 1 1 d . . . . .
H21 H -0.059065 0.487038 0.666662 0.020 Uiso 1 1 calc R U . . .
C22 C 0.3392(3) 0.6259(2) 0.53312(14) 0.0303(5) Uani 1 1 d . . . . .
H22A H 0.335206 0.703875 0.521036 0.046 Uiso 1 1 calc R U . . .
H22B H 0.359094 0.583421 0.490391 0.046 Uiso 1 1 calc R U . . .
H22C H 0.403829 0.614133 0.569049 0.046 Uiso 1 1 calc R U . . .
C23 C 0.1160(3) 0.6062(2) 0.50379(13) 0.0274(5) Uani 1 1 d . . . . .
H23A H 0.096517 0.684415 0.500025 0.041 Uiso 1 1 calc R U . . .
H23B H 0.040336 0.565418 0.515527 0.041 Uiso 1 1 calc R U . . .
H23C H 0.149248 0.580008 0.458352 0.041 Uiso 1 1 calc R U . . .
C24 C 0.0535(2) 0.56016(17) 0.78480(12) 0.0210(4) Uani 1 1 d . . . . .
C25 C 0.1528(3) 0.5612(2) 0.84128(14) 0.0325(5) Uani 1 1 d . . . . .
H25A H 0.234766 0.564959 0.818732 0.049 Uiso 1 1 calc R U . . .
H25B H 0.146928 0.494203 0.869777 0.049 Uiso 1 1 calc R U . . .
H25C H 0.141144 0.625133 0.872080 0.049 Uiso 1 1 calc R U . . .
C26 C -0.0767(3) 0.5559(2) 0.81595(15) 0.0326(6) Uani 1 1 d . . . . .
H26A H -0.137672 0.551322 0.777344 0.049 Uiso 1 1 calc R U . . .
H26B H -0.091963 0.622292 0.843929 0.049 Uiso 1 1 calc R U . . .
H26C H -0.084499 0.491447 0.846653 0.049 Uiso 1 1 calc R U . . .
C27 C 0.2619(3) 0.0904(2) 0.5044(2) 0.0435(7) Uani 1 1 d . . . . .
H27A H 0.265949 0.082011 0.556669 0.052 Uiso 1 1 calc R U . . .
H27B H 0.337601 0.056720 0.483897 0.052 Uiso 1 1 calc R U . . .
C28 C 0.1511(6) 0.0324(3) 0.4772(3) 0.0764(15) Uani 1 1 d . . . . .
H28A H 0.154617 -0.044666 0.491581 0.115 Uiso 1 1 calc R U . . .
H28B H 0.149305 0.037120 0.425160 0.115 Uiso 1 1 calc R U . . .
H28C H 0.075945 0.066297 0.496714 0.115 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
Si O1 1.6605(15) . ?
Si C5 1.865(3) . ?
Si C6 1.872(3) . ?
Si C1 1.897(3) . ?
O1 C13 1.423(3) . ?
O2 C24 1.429(3) . ?
O2 C12 1.434(3) . ?
O3 C24 1.425(3) . ?
O3 C21 1.440(3) . ?
O4 C11 1.417(3) . ?
O5 C19 1.367(3) . ?
O5 C17 1.443(3) . ?
O6 C17 1.383(3) . ?
O6 C27 1.437(3) . ?
C1 C2 1.528(5) . ?
C1 C4 1.530(5) . ?
C1 C3 1.541(4) . ?
C11 C12 1.536(3) . ?
C12 C21 1.552(3) . ?
C12 C13 1.558(3) . ?
C13 C14 1.558(3) . ?
C14 C22 1.531(3) . ?
C14 C23 1.539(3) . ?
C14 C15 1.557(3) . ?
C15 C20 1.508(3) . ?
C15 C16 1.536(3) . ?
C16 C17 1.511(3) . ?
C19 C20 1.328(3) . ?
C20 C21 1.490(3) . ?
C24 C25 1.506(4) . ?
C24 C26 1.519(3) . ?
C27 C28 1.478(6) . ?

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
O1 Si C5 112.63(10) . . ?
O1 Si C6 109.99(10) . . ?
C5 Si C6 107.20(12) . . ?
O1 Si C1 106.56(10) . . ?
C5 Si C1 110.28(13) . . ?
C6 Si C1 110.21(13) . . ?
C13 O1 Si 123.49(13) . . ?
C24 O2 C12 110.17(16) . . ?
C24 O3 C21 106.95(16) . . ?
C19 O5 C17 113.02(19) . . ?
C17 O6 C27 114.6(2) . . ?
C2 C1 C4 109.3(3) . . ?
C2 C1 C3 108.9(3) . . ?
C4 C1 C3 108.3(3) . . ?
C2 C1 Si 110.4(2) . . ?
C4 C1 Si 111.0(2) . . ?
C3 C1 Si 108.96(19) . . ?
O4 C11 C12 112.5(2) . . ?
O2 C12 C11 105.28(18) . . ?
O2 C12 C21 103.74(16) . . ?
C11 C12 C21 111.00(18) . . ?
O2 C12 C13 109.10(17) . . ?
C11 C12 C13 111.78(18) . . ?
C21 C12 C13 115.15(17) . . ?
O1 C13 C12 110.92(17) . . ?
O1 C13 C14 108.85(17) . . ?
C12 C13 C14 114.35(17) . . ?
C22 C14 C23 107.45(19) . . ?
C22 C14 C15 110.3(2) . . ?
C23 C14 C15 111.45(18) . . ?
C22 C14 C13 109.10(18) . . ?
C23 C14 C13 110.47(19) . . ?
C15 C14 C13 108.06(17) . . ?
C20 C15 C16 109.45(18) . . ?
C20 C15 C14 109.83(18) . . ?
C16 C15 C14 112.84(18) . . ?
C17 C16 C15 110.61(19) . . ?
O6 C17 O5 107.8(2) . . ?
O6 C17 C16 109.6(2) . . ?
O5 C17 C16 110.1(2) . . ?
C20 C19 O5 125.2(2) . . ?
C19 C20 C21 118.29(19) . . ?
C19 C20 C15 122.5(2) . . ?
C21 C20 C15 119.26(18) . . ?
O3 C21 C20 109.48(17) . . ?
O3 C21 C12 102.86(16) . . ?
C20 C21 C12 117.18(17) . . ?
O3 C24 O2 105.58(17) . . ?
O3 C24 C25 108.2(2) . . ?
O2 C24 C25 109.76(19) . . ?
O3 C24 C26 111.15(19) . . ?
O2 C24 C26 109.5(2) . . ?
C25 C24 C26 112.5(2) . . ?
O6 C27 C28 112.0(3) . . ?

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
C5 Si O1 C13 77.63(18) . . . . ?
C6 Si O1 C13 -41.88(19) . . . . ?
C1 Si O1 C13 -161.32(18) . . . . ?
O1 Si C1 C2 48.3(3) . . . . ?
C5 Si C1 C2 170.8(2) . . . . ?
C6 Si C1 C2 -71.0(3) . . . . ?
O1 Si C1 C4 -73.1(2) . . . . ?
C5 Si C1 C4 49.5(2) . . . . ?
C6 Si C1 C4 167.6(2) . . . . ?
O1 Si C1 C3 167.7(2) . . . . ?
C5 Si C1 C3 -69.7(3) . . . . ?
C6 Si C1 C3 48.4(3) . . . . ?
C24 O2 C12 C11 119.83(19) . . . . ?
C24 O2 C12 C21 3.1(2) . . . . ?
C24 O2 C12 C13 -120.07(18) . . . . ?
O4 C11 C12 O2 60.0(3) . . . . ?
O4 C11 C12 C21 171.58(19) . . . . ?
O4 C11 C12 C13 -58.4(3) . . . . ?
Si O1 C13 C12 -108.22(17) . . . . ?
Si O1 C13 C14 125.12(16) . . . . ?
O2 C12 C13 O1 30.1(2) . . . . ?
C11 C12 C13 O1 146.07(18) . . . . ?
C21 C12 C13 O1 -86.1(2) . . . . ?
O2 C12 C13 C14 153.61(17) . . . . ?
C11 C12 C13 C14 -90.4(2) . . . . ?
C21 C12 C13 C14 37.5(3) . . . . ?
O1 C13 C14 C22 -52.0(2) . . . . ?
C12 C13 C14 C22 -176.71(19) . . . . ?
O1 C13 C14 C23 -169.95(17) . . . . ?
C12 C13 C14 C23 65.4(2) . . . . ?
O1 C13 C14 C15 67.9(2) . . . . ?
C12 C13 C14 C15 -56.8(2) . . . . ?
C22 C14 C15 C20 179.99(19) . . . . ?
C23 C14 C15 C20 -60.8(2) . . . . ?
C13 C14 C15 C20 60.8(2) . . . . ?
C22 C14 C15 C16 -57.6(3) . . . . ?
C23 C14 C15 C16 61.7(3) . . . . ?
C13 C14 C15 C16 -176.79(18) . . . . ?
C20 C15 C16 C17 -38.3(3) . . . . ?
C14 C15 C16 C17 -160.9(2) . . . . ?
C27 O6 C17 O5 -76.5(3) . . . . ?
C27 O6 C17 C16 163.7(2) . . . . ?
C19 O5 C17 O6 -170.8(2) . . . . ?
C19 O5 C17 C16 -51.3(3) . . . . ?
C15 C16 C17 O6 -179.2(2) . . . . ?
C15 C16 C17 O5 62.4(3) . . . . ?
C17 O5 C19 C20 18.3(3) . . . . ?
O5 C19 C20 C21 -174.9(2) . . . . ?
O5 C19 C20 C15 5.0(4) . . . . ?
C16 C15 C20 C19 6.3(3) . . . . ?
C14 C15 C20 C19 130.7(2) . . . . ?
C16 C15 C20 C21 -173.8(2) . . . . ?
C14 C15 C20 C21 -49.4(3) . . . . ?
C24 O3 C21 C20 157.77(17) . . . . ?
C24 O3 C21 C12 32.5(2) . . . . ?
C19 C20 C21 O3 93.1(2) . . . . ?
C15 C20 C21 O3 -86.9(2) . . . . ?
C19 C20 C21 C12 -150.4(2) . . . . ?
C15 C20 C21 C12 29.7(3) . . . . ?
O2 C12 C21 O3 -21.4(2) . . . . ?
C11 C12 C21 O3 -134.05(19) . . . . ?
C13 C12 C21 O3 97.70(19) . . . . ?
O2 C12 C21 C20 -141.55(19) . . . . ?
C11 C12 C21 C20 105.8(2) . . . . ?
C13 C12 C21 C20 -22.4(3) . . . . ?
C21 O3 C24 O2 -31.3(2) . . . . ?
C21 O3 C24 C25 -148.80(19) . . . . ?
C21 O3 C24 C26 87.3(2) . . . . ?
C12 O2 C24 O3 16.8(2) . . . . ?
C12 O2 C24 C25 133.2(2) . . . . ?
C12 O2 C24 C26 -103.0(2) . . . . ?
C17 O6 C27 C28 100.7(4) . . . . ?

_refine_diff_density_max         0.510
_refine_diff_density_min         -0.384
_refine_diff_density_rms         0.057


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: DCM, PE'
