# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_cu_2015107_0m
_database_code_depnum_ccdc_archive 'CCDC 1479445'
_audit_update_record             
;
2016-05-12 deposited with the CCDC.
2016-12-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H44 O7'
_chemical_formula_weight         564.69

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'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   P212121

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

_cell_length_a                   10.45830(10)
_cell_length_b                   13.3200(2)
_cell_length_c                   22.0536(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3072.17(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.221
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1216
_exptl_absorpt_coefficient_mu    0.679
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\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_reflns_number            40986
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_av_sigmaI/netI    0.0176
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         3.88
_diffrn_reflns_theta_max         67.73
_reflns_number_total             5469
_reflns_number_gt                5246
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_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)+(0.2000P)²+0.0000P] 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   0.1(4)
_refine_ls_number_reflns         5469
_refine_ls_number_parameters     377
_refine_ls_number_restraints     22
_refine_ls_R_factor_all          0.1011
_refine_ls_R_factor_gt           0.0993
_refine_ls_wR_factor_ref         0.3076
_refine_ls_wR_factor_gt          0.3028
_refine_ls_goodness_of_fit_ref   1.539
_refine_ls_restrained_S_all      1.555
_refine_ls_shift/su_max          0.179
_refine_ls_shift/su_mean         0.001

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
C6 C 0.7027(4) 0.4608(3) 0.80976(17) 0.0453(8) Uani 1 1 d . A 4
H6A H 0.7762 0.4977 0.7948 0.054 Uiso 1 1 calc R A 4
H6B H 0.6745 0.4171 0.7772 0.054 Uiso 1 1 calc R A 4
C3' C 0.4635(12) 0.4565(6) 0.6034(3) 0.1139(16) Uani 1 1 d U A 4
H3'1 H 0.4945 0.3996 0.6266 0.137 Uiso 1 1 calc R A 4
H3'2 H 0.3829 0.4777 0.6209 0.137 Uiso 1 1 calc R A 4
O1 O 0.8910(3) 0.2825(2) 0.80244(15) 0.0539(7) Uani 1 1 d . A 4
H1A H 0.8719 0.2884 0.7666 0.081 Uiso 1 1 calc R A 4
O2 O 0.5241(3) 0.6837(2) 0.87141(12) 0.0488(7) Uani 1 1 d . A 4
O3 O 0.4236(2) 0.75784(19) 0.79432(13) 0.0462(6) Uani 1 1 d . A 4
O6 O 0.7425(5) 1.0678(3) 0.6509(3) 0.0957(15) Uani 1 1 d . A 4
C2 C 0.7006(5) 0.2695(3) 0.94059(19) 0.0569(11) Uani 1 1 d . A 4
H2A H 0.7490 0.2847 0.9770 0.068 Uiso 1 1 calc R A 4
H2B H 0.6306 0.2252 0.9514 0.068 Uiso 1 1 calc R A 4
C1 C 0.6479(4) 0.3683(3) 0.91163(14) 0.0412(8) Uani 1 1 d . A 4
H1 H 0.5689 0.3506 0.8902 0.049 Uiso 1 1 calc R A 4
C5 C 0.7491(3) 0.3930(3) 0.86279(15) 0.0393(7) Uani 1 1 d . A 4
C7 C 0.5964(3) 0.5363(3) 0.82178(15) 0.0384(7) Uani 1 1 d . A 4
H7 H 0.5169 0.4974 0.8231 0.046 Uiso 1 1 calc R A 4
C11 C 0.5745(3) 0.6205(2) 0.77410(14) 0.0348(7) Uani 1 1 d . A 4
C13 C 0.5038(3) 0.5880(3) 0.71656(15) 0.0379(7) Uani 1 1 d . A 4
H13A H 0.4474 0.5319 0.7248 0.045 Uiso 1 1 calc R A 4
H13B H 0.4538 0.6430 0.7002 0.045 Uiso 1 1 calc R A 4
C1' C 0.6097(3) 0.5576(2) 0.67264(13) 0.0364(7) Uani 1 1 d . A 4
H1' H 0.6432 0.4927 0.6863 0.044 Uiso 1 1 calc R A 4
C2' C 0.5617(5) 0.5437(3) 0.60760(16) 0.0504(9) Uani 1 1 d . A 4
H2'1 H 0.6337 0.5296 0.5812 0.061 Uiso 1 1 calc R A 4
H2'2 H 0.5219 0.6054 0.5938 0.061 Uiso 1 1 calc R A 4
C4' C 0.4428(12) 0.4254(6) 0.5392(4) 0.1163(15) Uani 1 1 d DU A 4
H4' H 0.5249 0.4199 0.5180 0.140 Uiso 1 1 calc R A 4
C10' C 0.7167(3) 0.6363(3) 0.68196(15) 0.0378(7) Uani 1 1 d . A 4
C5' C 0.6998(3) 0.6729(2) 0.74999(14) 0.0328(7) Uani 1 1 d . A 4
H5' H 0.7719 0.6466 0.7735 0.039 Uiso 1 1 calc R A 4
C15 C 0.8683(4) 0.4377(3) 0.8924(2) 0.0555(10) Uani 1 1 d . A 4
H15D H 0.8924 0.3976 0.9267 0.083 Uiso 1 1 calc R A 4
H15E H 0.8505 0.5050 0.9055 0.083 Uiso 1 1 calc R A 4
H15F H 0.9371 0.4387 0.8635 0.083 Uiso 1 1 calc R A 4
C4 C 0.7791(3) 0.2890(3) 0.83847(17) 0.0410(8) Uani 1 1 d . A 4
H4 H 0.7066 0.2673 0.8136 0.049 Uiso 1 1 calc R A 4
C3 C 0.7880(5) 0.2186(4) 0.8929(2) 0.0617(11) Uani 1 1 d . A 4
H3A H 0.8753 0.2135 0.9074 0.074 Uiso 1 1 calc R A 4
H3B H 0.7571 0.1520 0.8827 0.074 Uiso 1 1 calc R A 4
C10 C 0.6127(4) 0.4466(3) 0.95882(15) 0.0495(9) Uani 1 1 d . A 4
H10 H 0.6916 0.4684 0.9789 0.059 Uiso 1 1 calc R A 4
C9 C 0.5446(4) 0.5392(3) 0.93539(16) 0.0479(9) Uani 1 1 d . A 4
H9A H 0.5383 0.5868 0.9685 0.057 Uiso 1 1 calc R A 4
H9B H 0.4581 0.5199 0.9245 0.057 Uiso 1 1 calc R A 4
C8 C 0.6031(4) 0.5933(3) 0.88144(16) 0.0437(8) Uani 1 1 d . A 4
H8 H 0.6916 0.6124 0.8904 0.052 Uiso 1 1 calc R A 4
C12 C 0.4982(3) 0.6941(3) 0.81214(16) 0.0400(7) Uani 1 1 d . A 4
C14 C 0.5236(5) 0.3997(4) 1.00766(18) 0.0600(11) Uani 1 1 d . A 4
H14A H 0.5061 0.4486 1.0386 0.090 Uiso 1 1 calc R A 4
H14B H 0.5649 0.3425 1.0255 0.090 Uiso 1 1 calc R A 4
H14C H 0.4449 0.3791 0.9891 0.090 Uiso 1 1 calc R A 4
C6' C 0.7001(3) 0.7877(3) 0.75650(19) 0.0431(8) Uani 1 1 d . A 4
H6'1 H 0.6202 0.8148 0.7413 0.052 Uiso 1 1 calc R A 4
H6'2 H 0.7078 0.8057 0.7990 0.052 Uiso 1 1 calc R A 4
C7' C 0.8124(3) 0.8323(3) 0.72067(18) 0.0426(8) Uani 1 1 d . A 4
H7' H 0.8936 0.8052 0.7357 0.051 Uiso 1 1 calc R A 4
C8' C 0.7969(4) 0.8086(3) 0.65279(19) 0.0503(9) Uani 1 1 d . A 4
H8' H 0.8799 0.7903 0.6354 0.060 Uiso 1 1 calc R A 4
O5 O 0.7513(4) 0.9025(3) 0.6253(2) 0.0776(12) Uani 1 1 d . A 4
C12' C 0.7670(5) 0.9824(3) 0.6644(3) 0.0735(15) Uani 1 1 d . A 4
C11' C 0.8151(4) 0.9454(3) 0.7218(3) 0.0581(11) Uani 1 1 d . A 4
C13' C 0.8474(5) 1.0061(4) 0.7674(4) 0.0841(19) Uani 1 1 d . A 4
H13C H 0.8395 1.0753 0.7630 0.101 Uiso 1 1 calc R A 4
H13D H 0.8780 0.9793 0.8035 0.101 Uiso 1 1 calc R A 4
C9' C 0.7004(4) 0.7272(3) 0.63963(16) 0.0440(8) Uani 1 1 d . A 4
H9'1 H 0.7099 0.7055 0.5979 0.053 Uiso 1 1 calc R A 4
H9'2 H 0.6149 0.7543 0.6444 0.053 Uiso 1 1 calc R A 4
C14' C 0.8499(4) 0.5881(3) 0.67242(17) 0.0470(8) Uani 1 1 d . A 4
H14D H 0.8593 0.5689 0.6307 0.070 Uiso 1 1 calc R A 4
H14E H 0.8577 0.5298 0.6977 0.070 Uiso 1 1 calc R A 4
H14F H 0.9152 0.6356 0.6829 0.070 Uiso 1 1 calc R A 4
C3S C 0.3902(12) 0.2189(10) 0.3718(4) 0.137(4) Uani 1 1 d . B 4
C2S C 0.3096(17) 0.1813(12) 0.4222(6) 0.161(5) Uani 1 1 d . B 4
C4S C 0.3287(5) 0.1855(4) 0.3176(2) 0.0638(12) Uani 1 1 d . B 4
O4 O 0.3784(8) 0.3270(4) 0.5412(3) 0.1241(16) Uani 1 1 d U A 4
H4A H 0.4234 0.2867 0.5595 0.186 Uiso 1 1 calc R A 4
C15' C 0.3598(12) 0.4908(6) 0.5074(4) 0.1189(17) Uani 1 1 d DU A 4
H15A H 0.2876 0.5068 0.5325 0.178 Uiso 1 1 calc R A 4
H15B H 0.3308 0.4585 0.4710 0.178 Uiso 1 1 calc R A 4
H15C H 0.4047 0.5513 0.4972 0.178 Uiso 1 1 calc R A 4
O1SB O 0.5097(19) 0.255(2) 0.3650(9) 0.359(14) Uani 1 1 d . B 4
C1SA C 0.115(8) 0.228(3) 0.4804(19) 0.59(6) Uani 1 1 d . C 4


_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
C6 C7 1.523(5) . ?
C6 C5 1.555(4) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C3' C4' 1.490(10) . ?
C3' C2' 1.554(10) . ?
C3' H3'1 0.9700 . ?
C3' H3'2 0.9700 . ?
O1 C4 1.418(5) . ?
O1 H1A 0.8200 . ?
O2 C12 1.342(5) . ?
O2 C8 1.477(4) . ?
O3 C12 1.219(4) . ?
O6 C12' 1.204(6) . ?
C2 C3 1.550(7) . ?
C2 C1 1.564(5) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C1 C10 1.519(6) . ?
C1 C5 1.546(5) . ?
C1 H1 0.9800 . ?
C5 C4 1.519(5) . ?
C5 C15 1.528(5) . ?
C7 C8 1.521(5) . ?
C7 C11 1.554(4) . ?
C7 H7 0.9800 . ?
C11 C12 1.517(5) . ?
C11 C13 1.531(4) . ?
C11 C5' 1.577(4) . ?
C13 C1' 1.526(5) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C1' C2' 1.531(4) . ?
C1' C10' 1.548(5) . ?
C1' H1' 0.9800 . ?
C2' H2'1 0.9700 . ?
C2' H2'2 0.9700 . ?
C4' C15' 1.415(12) . ?
C4' O4 1.475(10) . ?
C4' H4' 0.9800 . ?
C10' C9' 1.538(4) . ?
C10' C14' 1.548(5) . ?
C10' C5' 1.587(4) . ?
C5' C6' 1.536(5) . ?
C5' H5' 0.9800 . ?
C15 H15D 0.9600 . ?
C15 H15E 0.9600 . ?
C15 H15F 0.9600 . ?
C4 C3 1.526(5) . ?
C4 H4 0.9800 . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C10 C9 1.515(6) . ?
C10 C14 1.555(6) . ?
C10 H10 0.9800 . ?
C9 C8 1.520(5) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C8 H8 0.9800 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C6' C7' 1.535(5) . ?
C6' H6'1 0.9700 . ?
C6' H6'2 0.9700 . ?
C7' C11' 1.508(5) . ?
C7' C8' 1.538(6) . ?
C7' H7' 0.9800 . ?
C8' O5 1.469(5) . ?
C8' C9' 1.509(6) . ?
C8' H8' 0.9800 . ?
O5 C12' 1.379(8) . ?
C12' C11' 1.450(8) . ?
C11' C13' 1.333(9) . ?
C13' H13C 0.9300 . ?
C13' H13D 0.9300 . ?
C9' H9'1 0.9700 . ?
C9' H9'2 0.9700 . ?
C14' H14D 0.9600 . ?
C14' H14E 0.9600 . ?
C14' H14F 0.9600 . ?
C3S O1SB 1.35(2) . ?
C3S C4S 1.429(10) . ?
C3S C2S 1.482(16) . ?
O4 H4A 0.8200 . ?
C15' H15A 0.9600 . ?
C15' H15B 0.9600 . ?
C15' H15C 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
C7 C6 C5 118.7(3) . . ?
C7 C6 H6A 107.6 . . ?
C5 C6 H6A 107.6 . . ?
C7 C6 H6B 107.6 . . ?
C5 C6 H6B 107.6 . . ?
H6A C6 H6B 107.1 . . ?
C4' C3' C2' 111.1(7) . . ?
C4' C3' H3'1 109.4 . . ?
C2' C3' H3'1 109.4 . . ?
C4' C3' H3'2 109.4 . . ?
C2' C3' H3'2 109.4 . . ?
H3'1 C3' H3'2 108.0 . . ?
C12 O2 C8 110.0(3) . . ?
C3 C2 C1 107.4(3) . . ?
C3 C2 H2A 110.2 . . ?
C1 C2 H2A 110.2 . . ?
C3 C2 H2B 110.2 . . ?
C1 C2 H2B 110.2 . . ?
H2A C2 H2B 108.5 . . ?
C10 C1 C5 119.8(3) . . ?
C10 C1 C2 112.6(3) . . ?
C5 C1 C2 102.8(3) . . ?
C10 C1 H1 107.0 . . ?
C5 C1 H1 107.0 . . ?
C2 C1 H1 107.0 . . ?
C4 C5 C15 109.7(3) . . ?
C4 C5 C1 101.1(3) . . ?
C15 C5 C1 110.1(3) . . ?
C4 C5 C6 109.2(3) . . ?
C15 C5 C6 110.4(3) . . ?
C1 C5 C6 115.8(3) . . ?
C8 C7 C6 116.6(3) . . ?
C8 C7 C11 103.4(3) . . ?
C6 C7 C11 117.8(3) . . ?
C8 C7 H7 106.0 . . ?
C6 C7 H7 106.0 . . ?
C11 C7 H7 106.0 . . ?
C12 C11 C13 112.8(3) . . ?
C12 C11 C7 99.8(2) . . ?
C13 C11 C7 115.4(3) . . ?
C12 C11 C5' 109.7(3) . . ?
C13 C11 C5' 104.3(2) . . ?
C7 C11 C5' 115.2(3) . . ?
C1' C13 C11 104.5(3) . . ?
C1' C13 H13A 110.8 . . ?
C11 C13 H13A 110.8 . . ?
C1' C13 H13B 110.8 . . ?
C11 C13 H13B 110.8 . . ?
H13A C13 H13B 108.9 . . ?
C13 C1' C2' 112.9(3) . . ?
C13 C1' C10' 105.1(3) . . ?
C2' C1' C10' 116.3(3) . . ?
C13 C1' H1' 107.4 . . ?
C2' C1' H1' 107.4 . . ?
C10' C1' H1' 107.4 . . ?
C1' C2' C3' 111.3(4) . . ?
C1' C2' H2'1 109.4 . . ?
C3' C2' H2'1 109.4 . . ?
C1' C2' H2'2 109.4 . . ?
C3' C2' H2'2 109.4 . . ?
H2'1 C2' H2'2 108.0 . . ?
C15' C4' O4 106.3(8) . . ?
C15' C4' C3' 112.9(9) . . ?
O4 C4' C3' 106.6(7) . . ?
C15' C4' H4' 110.3 . . ?
O4 C4' H4' 110.3 . . ?
C3' C4' H4' 110.3 . . ?
C9' C10' C1' 111.9(3) . . ?
C9' C10' C14' 110.1(3) . . ?
C1' C10' C14' 110.5(3) . . ?
C9' C10' C5' 108.7(3) . . ?
C1' C10' C5' 104.6(2) . . ?
C14' C10' C5' 110.9(3) . . ?
C6' C5' C11 114.3(3) . . ?
C6' C5' C10' 113.2(3) . . ?
C11 C5' C10' 106.0(3) . . ?
C6' C5' H5' 107.7 . . ?
C11 C5' H5' 107.7 . . ?
C10' C5' H5' 107.7 . . ?
O1 C4 C5 115.1(3) . . ?
O1 C4 C3 110.6(3) . . ?
C5 C4 C3 107.2(3) . . ?
O1 C4 H4 107.9 . . ?
C5 C4 H4 107.9 . . ?
C3 C4 H4 107.9 . . ?
C4 C3 C2 103.2(3) . . ?
C4 C3 H3A 111.1 . . ?
C2 C3 H3A 111.1 . . ?
C4 C3 H3B 111.1 . . ?
C2 C3 H3B 111.1 . . ?
H3A C3 H3B 109.1 . . ?
C9 C10 C1 116.1(3) . . ?
C9 C10 C14 106.4(4) . . ?
C1 C10 C14 110.1(3) . . ?
C9 C10 H10 108.0 . . ?
C1 C10 H10 108.0 . . ?
C14 C10 H10 108.0 . . ?
C10 C9 C8 117.6(3) . . ?
C10 C9 H9A 107.9 . . ?
C8 C9 H9A 107.9 . . ?
C10 C9 H9B 107.9 . . ?
C8 C9 H9B 107.9 . . ?
H9A C9 H9B 107.2 . . ?
O2 C8 C9 106.2(3) . . ?
O2 C8 C7 104.6(3) . . ?
C9 C8 C7 114.9(3) . . ?
O2 C8 H8 110.3 . . ?
C9 C8 H8 110.3 . . ?
C7 C8 H8 110.3 . . ?
O3 C12 O2 121.0(3) . . ?
O3 C12 C11 127.5(3) . . ?
O2 C12 C11 111.5(3) . . ?
C7' C6' C5' 109.8(3) . . ?
C7' C6' H6'1 109.7 . . ?
C5' C6' H6'1 109.7 . . ?
C7' C6' H6'2 109.7 . . ?
C5' C6' H6'2 109.7 . . ?
H6'1 C6' H6'2 108.2 . . ?
C11' C7' C6' 113.1(3) . . ?
C11' C7' C8' 102.9(3) . . ?
C6' C7' C8' 109.9(3) . . ?
C11' C7' H7' 110.2 . . ?
C6' C7' H7' 110.2 . . ?
C8' C7' H7' 110.2 . . ?
O5 C8' C9' 108.4(3) . . ?
O5 C8' C7' 105.2(4) . . ?
C9' C8' C7' 113.9(3) . . ?
O5 C8' H8' 109.8 . . ?
C9' C8' H8' 109.8 . . ?
C7' C8' H8' 109.8 . . ?
C12' O5 C8' 111.1(4) . . ?
O6 C12' O5 123.3(6) . . ?
O6 C12' C11' 127.7(6) . . ?
O5 C12' C11' 109.0(4) . . ?
C13' C11' C12' 122.7(5) . . ?
C13' C11' C7' 128.6(5) . . ?
C12' C11' C7' 108.5(4) . . ?
C11' C13' H13C 120.0 . . ?
C11' C13' H13D 120.0 . . ?
H13C C13' H13D 120.0 . . ?
C8' C9' C10' 112.0(3) . . ?
C8' C9' H9'1 109.2 . . ?
C10' C9' H9'1 109.2 . . ?
C8' C9' H9'2 109.2 . . ?
C10' C9' H9'2 109.2 . . ?
H9'1 C9' H9'2 107.9 . . ?
O1SB C3S C4S 115.8(13) . . ?
O1SB C3S C2S 137.1(13) . . ?
C4S C3S C2S 105.4(9) . . ?
C4' O4 H4A 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
C3 C2 C1 C10 -154.3(4) . . . . ?
C3 C2 C1 C5 -24.0(4) . . . . ?
C10 C1 C5 C4 165.1(3) . . . . ?
C2 C1 C5 C4 39.3(3) . . . . ?
C10 C1 C5 C15 49.1(4) . . . . ?
C2 C1 C5 C15 -76.7(4) . . . . ?
C10 C1 C5 C6 -77.1(4) . . . . ?
C2 C1 C5 C6 157.2(3) . . . . ?
C7 C6 C5 C4 142.5(3) . . . . ?
C7 C6 C5 C15 -96.7(4) . . . . ?
C7 C6 C5 C1 29.3(5) . . . . ?
C5 C6 C7 C8 41.3(5) . . . . ?
C5 C6 C7 C11 165.1(3) . . . . ?
C8 C7 C11 C12 -31.6(3) . . . . ?
C6 C7 C11 C12 -161.8(3) . . . . ?
C8 C7 C11 C13 -152.7(3) . . . . ?
C6 C7 C11 C13 77.1(4) . . . . ?
C8 C7 C11 C5' 85.7(3) . . . . ?
C6 C7 C11 C5' -44.5(4) . . . . ?
C12 C11 C13 C1' 154.7(3) . . . . ?
C7 C11 C13 C1' -91.5(3) . . . . ?
C5' C11 C13 C1' 35.8(3) . . . . ?
C11 C13 C1' C2' -167.8(3) . . . . ?
C11 C13 C1' C10' -40.0(3) . . . . ?
C13 C1' C2' C3' -63.4(6) . . . . ?
C10' C1' C2' C3' 175.0(5) . . . . ?
C4' C3' C2' C1' -165.1(7) . . . . ?
C2' C3' C4' C15' -78.9(12) . . . . ?
C2' C3' C4' O4 164.7(8) . . . . ?
C13 C1' C10' C9' -89.9(3) . . . . ?
C2' C1' C10' C9' 35.7(4) . . . . ?
C13 C1' C10' C14' 147.0(3) . . . . ?
C2' C1' C10' C14' -87.4(4) . . . . ?
C13 C1' C10' C5' 27.5(3) . . . . ?
C2' C1' C10' C5' 153.2(3) . . . . ?
C12 C11 C5' C6' -14.0(4) . . . . ?
C13 C11 C5' C6' 107.0(3) . . . . ?
C7 C11 C5' C6' -125.6(3) . . . . ?
C12 C11 C5' C10' -139.4(3) . . . . ?
C13 C11 C5' C10' -18.4(3) . . . . ?
C7 C11 C5' C10' 109.1(3) . . . . ?
C9' C10' C5' C6' -11.9(4) . . . . ?
C1' C10' C5' C6' -131.5(3) . . . . ?
C14' C10' C5' C6' 109.3(3) . . . . ?
C9' C10' C5' C11 114.2(3) . . . . ?
C1' C10' C5' C11 -5.5(3) . . . . ?
C14' C10' C5' C11 -124.7(3) . . . . ?
C15 C5 C4 O1 -49.4(4) . . . . ?
C1 C5 C4 O1 -165.8(3) . . . . ?
C6 C5 C4 O1 71.7(4) . . . . ?
C15 C5 C4 C3 74.1(4) . . . . ?
C1 C5 C4 C3 -42.2(4) . . . . ?
C6 C5 C4 C3 -164.7(3) . . . . ?
O1 C4 C3 C2 153.2(3) . . . . ?
C5 C4 C3 C2 27.0(4) . . . . ?
C1 C2 C3 C4 -1.2(5) . . . . ?
C5 C1 C10 C9 66.8(5) . . . . ?
C2 C1 C10 C9 -172.2(3) . . . . ?
C5 C1 C10 C14 -172.4(3) . . . . ?
C2 C1 C10 C14 -51.4(5) . . . . ?
C1 C10 C9 C8 -50.0(5) . . . . ?
C14 C10 C9 C8 -172.8(3) . . . . ?
C12 O2 C8 C9 -134.7(3) . . . . ?
C12 O2 C8 C7 -12.7(4) . . . . ?
C10 C9 C8 O2 -175.7(3) . . . . ?
C10 C9 C8 C7 69.2(5) . . . . ?
C6 C7 C8 O2 159.0(3) . . . . ?
C11 C7 C8 O2 28.1(3) . . . . ?
C6 C7 C8 C9 -84.9(4) . . . . ?
C11 C7 C8 C9 144.1(3) . . . . ?
C8 O2 C12 O3 172.5(3) . . . . ?
C8 O2 C12 C11 -8.9(4) . . . . ?
C13 C11 C12 O3 -32.7(5) . . . . ?
C7 C11 C12 O3 -155.6(4) . . . . ?
C5' C11 C12 O3 83.0(4) . . . . ?
C13 C11 C12 O2 148.8(3) . . . . ?
C7 C11 C12 O2 25.9(4) . . . . ?
C5' C11 C12 O2 -95.4(3) . . . . ?
C11 C5' C6' C7' -168.8(3) . . . . ?
C10' C5' C6' C7' -47.3(4) . . . . ?
C5' C6' C7' C11' 176.7(3) . . . . ?
C5' C6' C7' C8' 62.3(4) . . . . ?
C11' C7' C8' O5 -17.8(4) . . . . ?
C6' C7' C8' O5 103.0(3) . . . . ?
C11' C7' C8' C9' -136.2(3) . . . . ?
C6' C7' C8' C9' -15.5(4) . . . . ?
C9' C8' O5 C12' 136.3(4) . . . . ?
C7' C8' O5 C12' 14.2(5) . . . . ?
C8' O5 C12' O6 176.2(6) . . . . ?
C8' O5 C12' C11' -4.2(6) . . . . ?
O6 C12' C11' C13' -4.8(9) . . . . ?
O5 C12' C11' C13' 175.6(5) . . . . ?
O6 C12' C11' C7' 171.6(6) . . . . ?
O5 C12' C11' C7' -8.0(5) . . . . ?
C6' C7' C11' C13' 73.5(6) . . . . ?
C8' C7' C11' C13' -167.9(4) . . . . ?
C6' C7' C11' C12' -102.6(4) . . . . ?
C8' C7' C11' C12' 15.9(5) . . . . ?
O5 C8' C9' C10' -162.3(4) . . . . ?
C7' C8' C9' C10' -45.6(4) . . . . ?
C1' C10' C9' C8' 174.4(3) . . . . ?
C14' C10' C9' C8' -62.2(4) . . . . ?
C5' C10' C9' C8' 59.4(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.983
_diffrn_reflns_theta_full        67.73
_diffrn_measured_fraction_theta_full 0.983
_refine_diff_density_max         0.927
_refine_diff_density_min         -1.138
_refine_diff_density_rms         0.100
