# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2019

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1058399'
loop_
_audit_author_name
_audit_author_address
'Wenli Wang'
;Shenyang Pharmarceutical University
China
;
_audit_update_record             
;
2019-04-26 deposited with the CCDC.	2019-06-25 downloaded from the CCDC.
;
_audit_creation_date             2015-04-07
_audit_creation_method           
;
  Olex2 1.2-ac2
  (compiled 2012.03.06 svn.r2239, GUI svn.r4109)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C40 H32 O6'
_chemical_formula_sum            'C40 H32 O6'
_chemical_formula_weight         608.66
_chemical_melting_point          ?
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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   10.438(5)
_cell_length_b                   10.700(5)
_cell_length_c                   15.172(7)
_cell_angle_alpha                80.197(9)
_cell_angle_beta                 70.129(9)
_cell_angle_gamma                79.638(9)
_cell_volume                     1556.7(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2830
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.68
_cell_measurement_theta_min      2.28
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_T_max  0.9940
_exptl_absorpt_correction_T_min  0.9711
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.299
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       triclinic
_exptl_crystal_F_000             640
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.07
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0442
_diffrn_reflns_av_unetI/netI     0.0528
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16808
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.44
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         0
_reflns_number_gt                3267
_reflns_number_total             5689
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    
;
olex2.solve (L.J. Bourhis, O.V. Dolomanov, R.J. Gildea, J.A.K. Howard,
H. Puschmann, in preparation, 2011)
;
_refine_diff_density_max         0.366
_refine_diff_density_min         -0.250
_refine_diff_density_rms         0.038
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     419
_refine_ls_number_reflns         5689
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1055
_refine_ls_R_factor_gt           0.0518
_refine_ls_restrained_S_all      1.011
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0695P)²+0.1581P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1228
_refine_ls_wR_factor_ref         0.1488
_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. 
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
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
O1 O 0.53190(14) 0.09145(13) 0.25431(12) 0.0541(5) Uani 1 1 d . . .
O1" O 0.8490(2) 0.37624(18) 0.08142(18) 0.1068(8) Uani 1 1 d . . .
O1"A O 0.41313(15) -0.32748(13) 0.43096(12) 0.0530(4) Uani 1 1 d . . .
O1A O 0.15996(14) 0.06688(14) 0.36112(10) 0.0458(4) Uani 1 1 d . . .
O4 O 0.83600(17) -0.21417(16) 0.21909(15) 0.0780(6) Uani 1 1 d . . .
O4A O -0.18914(17) -0.0911(2) 0.41984(15) 0.0815(6) Uani 1 1 d . . .
C1' C 0.4180(2) -0.0344(2) 0.19239(16) 0.0513(6) Uani 1 1 d . . .
C1'A C 0.0662(2) 0.2736(2) 0.31696(16) 0.0538(6) Uani 1 1 d . . .
C2 C 0.4860(2) -0.03132(19) 0.26559(16) 0.0416(5) Uani 1 1 d . . .
C2" C 0.7397(3) 0.4792(3) 0.0707(2) 0.0755(8) Uani 1 1 d . . .
C2"A C 0.5135(2) -0.2646(2) 0.45104(18) 0.0507(6) Uani 1 1 d . . .
C2' C 0.3840(3) -0.1481(3) 0.1809(2) 0.0734(8) Uani 1 1 d . . .
H2' H 0.4050 -0.2228 0.2174 0.088 Uiso 1 1 calc R . .
C2'A C -0.0328(3) 0.3616(3) 0.2899(2) 0.0801(9) Uani 1 1 d . . .
H2'A H -0.1100 0.3343 0.2857 0.096 Uiso 1 1 calc R . .
C2A C 0.0463(2) 0.1385(2) 0.34500(16) 0.0477(6) Uani 1 1 d . . .
C3 C 0.5965(2) -0.1431(2) 0.27851(16) 0.0444(6) Uani 1 1 d . . .
H3 H 0.5774 -0.2212 0.2624 0.053 Uiso 1 1 calc R . .
C3" C 0.6076(4) 0.4566(3) 0.1403(3) 0.1023(12) Uani 1 1 d . . .
H3" H 0.5392 0.5258 0.1548 0.123 Uiso 1 1 calc R . .
C3"A C 0.5367(2) -0.1400(2) 0.38692(16) 0.0419(5) Uani 1 1 d . . .
H3"A H 0.5894 -0.0906 0.4077 0.050 Uiso 1 1 calc R . .
C3' C 0.3192(4) -0.1528(5) 0.1159(3) 0.1038(12) Uani 1 1 d . . .
H3' H 0.2964 -0.2303 0.1097 0.125 Uiso 1 1 calc R . .
C3'A C -0.0162(4) 0.4901(3) 0.2693(2) 0.0931(11) Uani 1 1 d . . .
H3'A H -0.0831 0.5486 0.2516 0.112 Uiso 1 1 calc R . .
C3A C -0.0672(2) 0.0851(3) 0.35994(18) 0.0611(7) Uani 1 1 d . . .
H3A H -0.1412 0.1358 0.3453 0.073 Uiso 1 1 calc R . .
C4 C 0.7445(2) -0.1248(2) 0.22698(17) 0.0494(6) Uani 1 1 d . . .
C4" C 0.5810(3) 0.3424(3) 0.1835(3) 0.0956(11) Uani 1 1 d . . .
H4" H 0.4939 0.3319 0.2257 0.115 Uiso 1 1 calc R . .
C4"A C 0.4059(2) -0.0547(2) 0.37347(15) 0.0389(5) Uani 1 1 d . . .
H4"A H 0.3839 0.0234 0.4043 0.047 Uiso 1 1 calc R . .
C4' C 0.2886(4) -0.0446(6) 0.0610(3) 0.1120(15) Uani 1 1 d . . .
H4' H 0.2459 -0.0477 0.0169 0.134 Uiso 1 1 calc R . .
C4'A C 0.0960(4) 0.5324(3) 0.2745(2) 0.0895(10) Uani 1 1 d . . .
H4'A H 0.1057 0.6189 0.2608 0.107 Uiso 1 1 calc R . .
C4A C -0.0804(2) -0.0459(3) 0.39732(17) 0.0572(7) Uani 1 1 d . . .
C5 C 0.9021(2) 0.0343(3) 0.1345(2) 0.0665(8) Uani 1 1 d . . .
H5 H 0.9750 -0.0316 0.1244 0.080 Uiso 1 1 calc R . .
C5' C 0.3211(4) 0.0671(5) 0.0714(3) 0.1091(14) Uani 1 1 d . . .
H5' H 0.3004 0.1411 0.0339 0.131 Uiso 1 1 calc R . .
C5'A C 0.1947(4) 0.4461(3) 0.3002(2) 0.0881(10) Uani 1 1 d . . .
H5'A H 0.2719 0.4740 0.3039 0.106 Uiso 1 1 calc R . .
C5A C 0.0582(2) -0.2532(2) 0.43838(17) 0.0534(6) Uani 1 1 d . . .
H5A H -0.0172 -0.2965 0.4522 0.064 Uiso 1 1 calc R . .
C6 C 0.9269(3) 0.1571(3) 0.0981(2) 0.0838(10) Uani 1 1 d . . .
H6 H 1.0155 0.1740 0.0628 0.101 Uiso 1 1 calc R . .
C6' C 0.3853(3) 0.0744(3) 0.1375(2) 0.0795(9) Uani 1 1 d . . .
H6' H 0.4057 0.1527 0.1441 0.095 Uiso 1 1 calc R . .
C6'A C 0.1801(3) 0.3180(3) 0.3205(2) 0.0696(8) Uani 1 1 d . . .
H6'A H 0.2486 0.2602 0.3370 0.083 Uiso 1 1 calc R . .
C6A C 0.1788(2) -0.3191(2) 0.44737(17) 0.0522(6) Uani 1 1 d . . .
H6A H 0.1850 -0.4065 0.4673 0.063 Uiso 1 1 calc R . .
C7 C 0.8197(3) 0.2554(3) 0.1142(2) 0.0690(8) Uani 1 1 d . . .
C7A C 0.2930(2) -0.2549(2) 0.42655(16) 0.0428(5) Uani 1 1 d . . .
C8 C 0.6862(2) 0.2331(2) 0.16615(18) 0.0551(6) Uani 1 1 d . . .
C8A C 0.2854(2) -0.1252(2) 0.39843(15) 0.0382(5) Uani 1 1 d . . .
C9 C 0.6634(2) 0.1066(2) 0.20067(16) 0.0437(6) Uani 1 1 d . . .
C9A C 0.1608(2) -0.0619(2) 0.39029(15) 0.0398(5) Uani 1 1 d . . .
C10 C 0.7699(2) 0.0060(2) 0.18627(16) 0.0445(6) Uani 1 1 d . . .
C10A C 0.0461(2) -0.1219(2) 0.40888(16) 0.0456(6) Uani 1 1 d . . .
C5" C 0.7877(5) 0.5974(3) 0.0828(4) 0.1363(16) Uani 1 1 d . . .
H5"A H 0.7950 0.5895 0.1450 0.204 Uiso 1 1 calc R . .
H5"B H 0.7228 0.6707 0.0746 0.204 Uiso 1 1 calc R . .
H5"C H 0.8758 0.6076 0.0367 0.204 Uiso 1 1 calc R . .
C6" C 0.7329(6) 0.4837(6) -0.0259(3) 0.185(2) Uani 1 1 d . . .
H6"A H 0.8178 0.4426 -0.0649 0.277 Uiso 1 1 calc R . .
H6"B H 0.7178 0.5712 -0.0520 0.277 Uiso 1 1 calc R . .
H6"C H 0.6586 0.4402 -0.0232 0.277 Uiso 1 1 calc R . .
C5"A C 0.6413(3) -0.3617(2) 0.4323(2) 0.0740(9) Uani 1 1 d . . .
H5"D H 0.6240 -0.4365 0.4774 0.111 Uiso 1 1 calc R . .
H5"E H 0.7154 -0.3255 0.4380 0.111 Uiso 1 1 calc R . .
H5"F H 0.6656 -0.3849 0.3697 0.111 Uiso 1 1 calc R . .
C6"A C 0.4554(3) -0.2390(3) 0.55340(19) 0.0692(8) Uani 1 1 d . . .
H6"D H 0.3791 -0.1721 0.5607 0.104 Uiso 1 1 calc R . .
H6"E H 0.5253 -0.2133 0.5718 0.104 Uiso 1 1 calc R . .
H6"F H 0.4251 -0.3155 0.5925 0.104 Uiso 1 1 calc R . .


_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 C2 1.442(2) . ?
O1 C9 1.360(2) . ?
O1" C2" 1.468(4) . ?
O1" C7 1.354(3) . ?
O1"A C2"A 1.478(3) . ?
O1"A C7A 1.367(2) . ?
O1A C2A 1.364(2) . ?
O1A C9A 1.373(3) . ?
O4 C4 1.214(3) . ?
O4A C4A 1.231(3) . ?
C1' C2 1.515(3) . ?
C1' C2' 1.381(4) . ?
C1' C6' 1.373(3) . ?
C1'A C2'A 1.389(3) . ?
C1'A C2A 1.468(3) . ?
C1'A C6'A 1.377(4) . ?
C2 C3 1.542(3) . ?
C2 C4"A 1.564(3) . ?
C2" C3" 1.456(4) . ?
C2" C5" 1.501(4) . ?
C2" C6" 1.483(5) . ?
C2"A C3"A 1.516(3) . ?
C2"A C5"A 1.512(3) . ?
C2"A C6"A 1.516(4) . ?
C2' H2' 0.9300 . ?
C2' C3' 1.384(4) . ?
C2'A H2'A 0.9300 . ?
C2'A C3'A 1.387(4) . ?
C2A C3A 1.341(3) . ?
C3 H3 0.9800 . ?
C3 C3"A 1.552(3) . ?
C3 C4 1.507(3) . ?
C3" H3" 0.9300 . ?
C3" C4" 1.313(4) . ?
C3"A H3"A 0.9800 . ?
C3"A C4"A 1.554(3) . ?
C3' H3' 0.9300 . ?
C3' C4' 1.363(5) . ?
C3'A H3'A 0.9300 . ?
C3'A C4'A 1.360(5) . ?
C3A H3A 0.9300 . ?
C3A C4A 1.433(4) . ?
C4 C10 1.463(3) . ?
C4" H4" 0.9300 . ?
C4" C8 1.446(4) . ?
C4"A H4"A 0.9800 . ?
C4"A C8A 1.488(3) . ?
C4' H4' 0.9300 . ?
C4' C5' 1.347(5) . ?
C4'A H4'A 0.9300 . ?
C4'A C5'A 1.369(4) . ?
C4A C10A 1.469(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.370(4) . ?
C5 C10 1.395(3) . ?
C5' H5' 0.9300 . ?
C5' C6' 1.400(5) . ?
C5'A H5'A 0.9300 . ?
C5'A C6'A 1.377(4) . ?
C5A H5A 0.9300 . ?
C5A C6A 1.365(3) . ?
C5A C10A 1.397(3) . ?
C6 H6 0.9300 . ?
C6 C7 1.377(4) . ?
C6' H6' 0.9300 . ?
C6'A H6'A 0.9300 . ?
C6A H6A 0.9300 . ?
C6A C7A 1.399(3) . ?
C7 C8 1.389(3) . ?
C7A C8A 1.377(3) . ?
C8 C9 1.397(3) . ?
C8A C9A 1.389(3) . ?
C9 C10 1.387(3) . ?
C9A C10A 1.382(3) . ?
C5" H5"A 0.9600 . ?
C5" H5"B 0.9600 . ?
C5" H5"C 0.9600 . ?
C6" H6"A 0.9600 . ?
C6" H6"B 0.9600 . ?
C6" H6"C 0.9600 . ?
C5"A H5"D 0.9600 . ?
C5"A H5"E 0.9600 . ?
C5"A H5"F 0.9600 . ?
C6"A H6"D 0.9600 . ?
C6"A H6"E 0.9600 . ?
C6"A H6"F 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
C9 O1 C2 118.93(16) . . ?
C7 O1" C2" 120.2(2) . . ?
C7A O1"A C2"A 117.65(16) . . ?
C2A O1A C9A 120.22(17) . . ?
C2' C1' C2 120.1(2) . . ?
C6' C1' C2 121.8(3) . . ?
C6' C1' C2' 118.0(3) . . ?
C2'A C1'A C2A 120.6(3) . . ?
C6'A C1'A C2'A 118.1(3) . . ?
C6'A C1'A C2A 121.2(2) . . ?
O1 C2 C1' 110.10(18) . . ?
O1 C2 C3 112.18(16) . . ?
O1 C2 C4"A 103.86(16) . . ?
C1' C2 C3 118.37(19) . . ?
C1' C2 C4"A 120.98(17) . . ?
C3 C2 C4"A 89.33(16) . . ?
O1" C2" C5" 104.0(3) . . ?
O1" C2" C6" 107.2(3) . . ?
C3" C2" O1" 111.4(2) . . ?
C3" C2" C5" 112.2(3) . . ?
C3" C2" C6" 110.0(4) . . ?
C6" C2" C5" 111.7(4) . . ?
O1"A C2"A C3"A 110.15(17) . . ?
O1"A C2"A C5"A 103.66(19) . . ?
O1"A C2"A C6"A 107.75(19) . . ?
C3"A C2"A C6"A 110.1(2) . . ?
C5"A C2"A C3"A 112.3(2) . . ?
C5"A C2"A C6"A 112.6(2) . . ?
C1' C2' H2' 119.4 . . ?
C1' C2' C3' 121.2(3) . . ?
C3' C2' H2' 119.4 . . ?
C1'A C2'A H2'A 120.1 . . ?
C3'A C2'A C1'A 119.8(3) . . ?
C3'A C2'A H2'A 120.1 . . ?
O1A C2A C1'A 111.2(2) . . ?
C3A C2A O1A 120.7(2) . . ?
C3A C2A C1'A 128.1(2) . . ?
C2 C3 H3 109.5 . . ?
C2 C3 C3"A 89.34(16) . . ?
C3"A C3 H3 109.5 . . ?
C4 C3 C2 117.28(18) . . ?
C4 C3 H3 109.5 . . ?
C4 C3 C3"A 120.23(19) . . ?
C2" C3" H3" 118.6 . . ?
C4" C3" C2" 122.7(3) . . ?
C4" C3" H3" 118.6 . . ?
C2"A C3"A C3 119.14(19) . . ?
C2"A C3"A H3"A 110.2 . . ?
C2"A C3"A C4"A 116.04(17) . . ?
C3 C3"A H3"A 110.2 . . ?
C3 C3"A C4"A 89.33(16) . . ?
C4"A C3"A H3"A 110.2 . . ?
C2' C3' H3' 119.9 . . ?
C4' C3' C2' 120.3(4) . . ?
C4' C3' H3' 119.9 . . ?
C2'A C3'A H3'A 119.4 . . ?
C4'A C3'A C2'A 121.3(3) . . ?
C4'A C3'A H3'A 119.4 . . ?
C2A C3A H3A 118.3 . . ?
C2A C3A C4A 123.4(2) . . ?
C4A C3A H3A 118.3 . . ?
O4 C4 C3 121.5(2) . . ?
O4 C4 C10 122.6(2) . . ?
C10 C4 C3 115.90(18) . . ?
C3" C4" H4" 119.8 . . ?
C3" C4" C8 120.5(3) . . ?
C8 C4" H4" 119.8 . . ?
C2 C4"A H4"A 112.4 . . ?
C3"A C4"A C2 88.48(15) . . ?
C3"A C4"A H4"A 112.4 . . ?
C8A C4"A C2 115.36(17) . . ?
C8A C4"A C3"A 113.65(17) . . ?
C8A C4"A H4"A 112.4 . . ?
C3' C4' H4' 120.4 . . ?
C5' C4' C3' 119.2(4) . . ?
C5' C4' H4' 120.4 . . ?
C3'A C4'A H4'A 120.4 . . ?
C3'A C4'A C5'A 119.2(3) . . ?
C5'A C4'A H4'A 120.4 . . ?
O4A C4A C3A 123.1(2) . . ?
O4A C4A C10A 122.5(3) . . ?
C3A C4A C10A 114.4(2) . . ?
C6 C5 H5 119.3 . . ?
C6 C5 C10 121.5(2) . . ?
C10 C5 H5 119.3 . . ?
C4' C5' H5' 119.3 . . ?
C4' C5' C6' 121.5(4) . . ?
C6' C5' H5' 119.3 . . ?
C4'A C5'A H5'A 119.9 . . ?
C4'A C5'A C6'A 120.2(3) . . ?
C6'A C5'A H5'A 119.9 . . ?
C6A C5A H5A 119.4 . . ?
C6A C5A C10A 121.2(2) . . ?
C10A C5A H5A 119.4 . . ?
C5 C6 H6 120.3 . . ?
C5 C6 C7 119.5(2) . . ?
C7 C6 H6 120.3 . . ?
C1' C6' C5' 119.8(3) . . ?
C1' C6' H6' 120.1 . . ?
C5' C6' H6' 120.1 . . ?
C1'A C6'A H6'A 119.3 . . ?
C5'A C6'A C1'A 121.4(3) . . ?
C5'A C6'A H6'A 119.3 . . ?
C5A C6A H6A 120.1 . . ?
C5A C6A C7A 119.8(2) . . ?
C7A C6A H6A 120.1 . . ?
O1" C7 C6 117.9(2) . . ?
O1" C7 C8 120.5(2) . . ?
C6 C7 C8 121.6(2) . . ?
O1"A C7A C6A 117.0(2) . . ?
O1"A C7A C8A 121.85(18) . . ?
C8A C7A C6A 121.0(2) . . ?
C7 C8 C4" 117.9(2) . . ?
C7 C8 C9 117.7(2) . . ?
C9 C8 C4" 124.4(2) . . ?
C7A C8A C4"A 122.28(18) . . ?
C7A C8A C9A 117.21(19) . . ?
C9A C8A C4"A 120.46(19) . . ?
O1 C9 C8 114.89(19) . . ?
O1 C9 C10 123.09(19) . . ?
C10 C9 C8 121.9(2) . . ?
O1A C9A C8A 114.50(18) . . ?
O1A C9A C10A 121.83(19) . . ?
C10A C9A C8A 123.7(2) . . ?
C5 C10 C4 121.2(2) . . ?
C9 C10 C4 120.83(19) . . ?
C9 C10 C5 117.9(2) . . ?
C5A C10A C4A 123.8(2) . . ?
C9A C10A C4A 119.2(2) . . ?
C9A C10A C5A 117.0(2) . . ?
C2" C5" H5"A 109.5 . . ?
C2" C5" H5"B 109.5 . . ?
C2" C5" H5"C 109.5 . . ?
H5"A C5" H5"B 109.5 . . ?
H5"A C5" H5"C 109.5 . . ?
H5"B C5" H5"C 109.5 . . ?
C2" C6" H6"A 109.5 . . ?
C2" C6" H6"B 109.5 . . ?
C2" C6" H6"C 109.5 . . ?
H6"A C6" H6"B 109.5 . . ?
H6"A C6" H6"C 109.5 . . ?
H6"B C6" H6"C 109.5 . . ?
C2"A C5"A H5"D 109.5 . . ?
C2"A C5"A H5"E 109.5 . . ?
C2"A C5"A H5"F 109.5 . . ?
H5"D C5"A H5"E 109.5 . . ?
H5"D C5"A H5"F 109.5 . . ?
H5"E C5"A H5"F 109.5 . . ?
C2"A C6"A H6"D 109.5 . . ?
C2"A C6"A H6"E 109.5 . . ?
C2"A C6"A H6"F 109.5 . . ?
H6"D C6"A H6"E 109.5 . . ?
H6"D C6"A H6"F 109.5 . . ?
H6"E C6"A H6"F 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
O1 C2 C3 C3"A 90.57(19) . . . . ?
O1 C2 C3 C4 -33.5(3) . . . . ?
O1 C2 C4"A C3"A -98.57(16) . . . . ?
O1 C2 C4"A C8A 145.87(17) . . . . ?
O1 C9 C10 C4 1.7(3) . . . . ?
O1 C9 C10 C5 -176.3(2) . . . . ?
O1" C2" C3" C4" -21.6(5) . . . . ?
O1" C7 C8 C4" 0.1(4) . . . . ?
O1" C7 C8 C9 -177.9(3) . . . . ?
O1"A C2"A C3"A C3 -61.6(2) . . . . ?
O1"A C2"A C3"A C4"A 43.3(3) . . . . ?
O1"A C7A C8A C4"A -1.7(3) . . . . ?
O1"A C7A C8A C9A 175.76(19) . . . . ?
O1A C2A C3A C4A 3.1(4) . . . . ?
O1A C9A C10A C4A -0.1(3) . . . . ?
O1A C9A C10A C5A -179.83(19) . . . . ?
O4 C4 C10 C5 1.0(4) . . . . ?
O4 C4 C10 C9 -176.9(2) . . . . ?
O4A C4A C10A C5A 5.7(4) . . . . ?
O4A C4A C10A C9A -174.0(2) . . . . ?
C1' C2 C3 C3"A -139.50(19) . . . . ?
C1' C2 C3 C4 96.4(2) . . . . ?
C1' C2 C4"A C3"A 137.3(2) . . . . ?
C1' C2 C4"A C8A 21.7(3) . . . . ?
C1' C2' C3' C4' 0.6(5) . . . . ?
C1'A C2'A C3'A C4'A 0.4(5) . . . . ?
C1'A C2A C3A C4A -172.8(2) . . . . ?
C2 O1 C9 C8 158.5(2) . . . . ?
C2 O1 C9 C10 -25.9(3) . . . . ?
C2 C1' C2' C3' 178.6(3) . . . . ?
C2 C1' C6' C5' -179.3(3) . . . . ?
C2 C3 C3"A C2"A 133.98(18) . . . . ?
C2 C3 C3"A C4"A 14.24(15) . . . . ?
C2 C3 C4 O4 -166.5(2) . . . . ?
C2 C3 C4 C10 12.6(3) . . . . ?
C2 C4"A C8A C7A 97.3(2) . . . . ?
C2 C4"A C8A C9A -80.0(2) . . . . ?
C2" O1" C7 C6 161.7(3) . . . . ?
C2" O1" C7 C8 -21.3(4) . . . . ?
C2" C3" C4" C8 2.6(6) . . . . ?
C2"A O1"A C7A C6A -153.7(2) . . . . ?
C2"A O1"A C7A C8A 29.4(3) . . . . ?
C2"A C3"A C4"A C2 -136.5(2) . . . . ?
C2"A C3"A C4"A C8A -19.3(3) . . . . ?
C2' C1' C2 O1 170.6(2) . . . . ?
C2' C1' C2 C3 39.7(3) . . . . ?
C2' C1' C2 C4"A -68.3(3) . . . . ?
C2' C1' C6' C5' -0.8(4) . . . . ?
C2' C3' C4' C5' -0.6(6) . . . . ?
C2'A C1'A C2A O1A 174.9(2) . . . . ?
C2'A C1'A C2A C3A -8.9(4) . . . . ?
C2'A C1'A C6'A C5'A 1.6(4) . . . . ?
C2'A C3'A C4'A C5'A 0.3(5) . . . . ?
C2A O1A C9A C8A 176.13(18) . . . . ?
C2A O1A C9A C10A -3.4(3) . . . . ?
C2A C1'A C2'A C3'A 176.0(3) . . . . ?
C2A C1'A C6'A C5'A -175.7(3) . . . . ?
C2A C3A C4A O4A 172.4(2) . . . . ?
C2A C3A C4A C10A -6.2(4) . . . . ?
C3 C2 C4"A C3"A 14.14(15) . . . . ?
C3 C2 C4"A C8A -101.43(19) . . . . ?
C3 C3"A C4"A C2 -14.04(15) . . . . ?
C3 C3"A C4"A C8A 103.10(19) . . . . ?
C3 C4 C10 C5 -178.0(2) . . . . ?
C3 C4 C10 C9 4.1(3) . . . . ?
C3" C4" C8 C7 9.5(5) . . . . ?
C3" C4" C8 C9 -172.7(3) . . . . ?
C3"A C3 C4 O4 86.9(3) . . . . ?
C3"A C3 C4 C10 -94.0(2) . . . . ?
C3"A C4"A C8A C7A -2.8(3) . . . . ?
C3"A C4"A C8A C9A 179.89(19) . . . . ?
C3' C4' C5' C6' -0.1(6) . . . . ?
C3'A C4'A C5'A C6'A 0.0(5) . . . . ?
C3A C4A C10A C5A -175.7(2) . . . . ?
C3A C4A C10A C9A 4.5(3) . . . . ?
C4 C3 C3"A C2"A -104.4(2) . . . . ?
C4 C3 C3"A C4"A 135.83(19) . . . . ?
C4" C8 C9 O1 -0.5(4) . . . . ?
C4" C8 C9 C10 -176.2(3) . . . . ?
C4"A C2 C3 C3"A -14.15(15) . . . . ?
C4"A C2 C3 C4 -138.2(2) . . . . ?
C4"A C8A C9A O1A -1.9(3) . . . . ?
C4"A C8A C9A C10A 177.6(2) . . . . ?
C4' C5' C6' C1' 0.9(5) . . . . ?
C4'A C5'A C6'A C1'A -0.9(5) . . . . ?
C5 C6 C7 O1" 176.6(3) . . . . ?
C5 C6 C7 C8 -0.4(5) . . . . ?
C5A C6A C7A O1"A -175.9(2) . . . . ?
C5A C6A C7A C8A 1.1(4) . . . . ?
C6 C5 C10 C4 -178.4(3) . . . . ?
C6 C5 C10 C9 -0.5(4) . . . . ?
C6 C7 C8 C4" 177.0(3) . . . . ?
C6 C7 C8 C9 -1.0(4) . . . . ?
C6' C1' C2 O1 -11.0(3) . . . . ?
C6' C1' C2 C3 -141.8(2) . . . . ?
C6' C1' C2 C4"A 110.2(3) . . . . ?
C6' C1' C2' C3' 0.1(4) . . . . ?
C6'A C1'A C2'A C3'A -1.3(4) . . . . ?
C6'A C1'A C2A O1A -8.0(3) . . . . ?
C6'A C1'A C2A C3A 168.3(3) . . . . ?
C6A C5A C10A C4A 179.6(2) . . . . ?
C6A C5A C10A C9A -0.7(3) . . . . ?
C6A C7A C8A C4"A -178.4(2) . . . . ?
C6A C7A C8A C9A -1.0(3) . . . . ?
C7 O1" C2" C3" 30.9(4) . . . . ?
C7 O1" C2" C5" 151.9(3) . . . . ?
C7 O1" C2" C6" -89.6(4) . . . . ?
C7 C8 C9 O1 177.3(2) . . . . ?
C7 C8 C9 C10 1.7(4) . . . . ?
C7A O1"A C2"A C3"A -49.2(3) . . . . ?
C7A O1"A C2"A C5"A -169.48(19) . . . . ?
C7A O1"A C2"A C6"A 71.0(2) . . . . ?
C7A C8A C9A O1A -179.38(18) . . . . ?
C7A C8A C9A C10A 0.1(3) . . . . ?
C8 C9 C10 C4 177.0(2) . . . . ?
C8 C9 C10 C5 -1.0(4) . . . . ?
C8A C9A C10A C4A -179.5(2) . . . . ?
C8A C9A C10A C5A 0.7(3) . . . . ?
C9 O1 C2 C1' -93.8(2) . . . . ?
C9 O1 C2 C3 40.3(3) . . . . ?
C9 O1 C2 C4"A 135.33(18) . . . . ?
C9A O1A C2A C1'A 178.48(18) . . . . ?
C9A O1A C2A C3A 1.9(3) . . . . ?
C10 C5 C6 C7 1.1(5) . . . . ?
C10A C5A C6A C7A -0.2(4) . . . . ?
C5" C2" C3" C4" -137.7(4) . . . . ?
C6" C2" C3" C4" 97.2(5) . . . . ?
C5"A C2"A C3"A C3 53.4(3) . . . . ?
C5"A C2"A C3"A C4"A 158.3(2) . . . . ?
C6"A C2"A C3"A C3 179.71(18) . . . . ?
C6"A C2"A C3"A C4"A -75.4(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
