# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 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. 
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data_cu_20180655_0m
_database_code_depnum_ccdc_archive 'CCDC 1897322'
loop_
_audit_author_name
_audit_author_address
'yongmei ren'
;Shanghai Institute of Materia Medica  Chinese Academy of Sciences
China
;
_audit_update_record             
;
2019-02-15 deposited with the CCDC.	2020-05-09 downloaded from the CCDC.
;
_audit_creation_date             2019-02-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            'Ainsliadiolide A'
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H32 O8'
_chemical_formula_sum            'C30 H32 O8'
_chemical_formula_weight         520.55
_chemical_absolute_configuration rmad
_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 0.0181 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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   8.8559(7)
_cell_length_b                   9.4486(9)
_cell_length_c                   15.3519(13)
_cell_angle_alpha                90
_cell_angle_beta                 94.432(3)
_cell_angle_gamma                90
_cell_volume                     1280.74(19)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5378
_cell_measurement_temperature    173
_cell_measurement_theta_max      68.98
_cell_measurement_theta_min      5.01
_shelx_estimated_absorpt_T_max   0.938
_shelx_estimated_absorpt_T_min   0.824
_exptl_absorpt_coefficient_mu    0.804
_exptl_absorpt_correction_T_max  0.7533
_exptl_absorpt_correction_T_min  0.7013
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.0974 before and 0.0414 after correction. The Ratio of minimum to maximum transmission is 0.9310. The λ/2 correction factor is 0.00150.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.350
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             552
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0281
_diffrn_reflns_av_unetI/netI     0.0245
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14193
_diffrn_reflns_point_group_measured_fraction_full 0.930
_diffrn_reflns_point_group_measured_fraction_max 0.930
_diffrn_reflns_theta_full        63.999
_diffrn_reflns_theta_max         63.999
_diffrn_reflns_theta_min         2.887
_diffrn_ambient_temperature      173.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.757
_reflns_Friedel_fraction_full    0.860
_reflns_Friedel_fraction_max     0.860
_reflns_number_gt                3874
_reflns_number_total             3934
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.491
_refine_diff_density_min         -0.167
_refine_diff_density_rms         0.043
_refine_ls_abs_structure_details 
;
 Flack x determined using 1647 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.05(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         3934
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0295
_refine_ls_R_factor_gt           0.0292
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0469P)²+0.1791P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0767
_refine_ls_wR_factor_ref         0.0769
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C6B(H6B), C5B(H5B), C6A(H6A), C7B(H7B), C1B(H1B), C5A(H5A), C1A(H1A), C7A(H7A)
2.b Secondary CH2 refined with riding coordinates:
 C15A(H15A,H15B), C15B(H15C,H15D), C9B(H9BA,H9BB), C8B(H8BA,H8BB), C2B(H2BA,
 H2BB), C2A(H2AA,H2AB), C8A(H8AA,H8AB), C9A(H9AA,H9AB)
2.c X=CH2 refined with riding coordinates:
 C14B(H14A,H14B), C13B(H13A,H13B), C14A(H14C,H14D), C13A(H13C,H13D)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
O5 O 0.40639(15) 0.64957(16) 0.32190(9) 0.0242(3) Uani 1 1 d . . . . .
O2 O 0.27249(17) 0.26405(18) 0.27673(10) 0.0295(4) Uani 1 1 d . . . . .
O4 O 0.58169(15) 0.52804(18) 0.41761(9) 0.0279(3) Uani 1 1 d . . . . .
O6 O 0.2103(2) 0.56535(19) 0.15192(10) 0.0402(4) Uani 1 1 d . . . . .
O1 O 0.2093(2) 0.05108(19) 0.22373(12) 0.0445(5) Uani 1 1 d . . . . .
O3 O 0.64581(19) 0.5782(2) 0.55542(11) 0.0473(5) Uani 1 1 d . . . . .
O8 O 0.6459(3) 0.8508(2) 0.35620(12) 0.0564(6) Uani 1 1 d . . . . .
O7 O -0.0110(3) 0.4608(3) 0.11468(15) 0.0691(7) Uani 1 1 d . . . . .
C6B C 0.2069(2) 0.3761(2) 0.32852(13) 0.0223(4) Uani 1 1 d . . . . .
H6B H 0.165184 0.452811 0.288755 0.027 Uiso 1 1 calc R . . . .
C4B C 0.4580(2) 0.5151(2) 0.34931(13) 0.0235(4) Uani 1 1 d . . . . .
C5B C 0.3317(2) 0.4359(2) 0.39140(13) 0.0222(4) Uani 1 1 d . . . . .
H5B H 0.380458 0.353335 0.423181 0.027 Uiso 1 1 calc R . . . .
C11B C 0.0465(2) 0.1750(2) 0.31902(14) 0.0294(5) Uani 1 1 d . . . . .
C12B C 0.1799(3) 0.1515(3) 0.26824(15) 0.0308(5) Uani 1 1 d . . . . .
C4A C 0.4926(2) 0.7038(2) 0.25361(14) 0.0243(5) Uani 1 1 d . . . . .
C15A C 0.6046(2) 0.5848(3) 0.23452(14) 0.0283(5) Uani 1 1 d . . . . .
H15A H 0.614501 0.575016 0.171002 0.034 Uiso 1 1 calc R . . . .
H15B H 0.705871 0.602276 0.264527 0.034 Uiso 1 1 calc R . . . .
C3A C 0.5800(2) 0.8376(3) 0.28526(15) 0.0308(5) Uani 1 1 d . . . . .
C6A C 0.3183(2) 0.6572(2) 0.11211(14) 0.0267(5) Uani 1 1 d . . . . .
H6A H 0.402139 0.597779 0.091692 0.032 Uiso 1 1 calc R . . . .
C10B C 0.1173(2) 0.6083(3) 0.43243(14) 0.0276(5) Uani 1 1 d . . . . .
C3B C 0.5476(2) 0.5773(3) 0.49671(14) 0.0298(5) Uani 1 1 d . . . . .
C7B C 0.0768(2) 0.3050(2) 0.37338(14) 0.0255(5) Uani 1 1 d . . . . .
H7B H 0.115516 0.275539 0.433571 0.031 Uiso 1 1 calc R . . . .
C15B C 0.5306(2) 0.4538(3) 0.27135(14) 0.0267(5) Uani 1 1 d . . . . .
H15C H 0.453828 0.412365 0.228417 0.032 Uiso 1 1 calc R . . . .
H15D H 0.606811 0.380755 0.289493 0.032 Uiso 1 1 calc R . . . .
C1B C 0.2648(2) 0.5319(2) 0.46217(13) 0.0244(4) Uani 1 1 d . . . . .
H1B H 0.239067 0.466594 0.510133 0.029 Uiso 1 1 calc R . . . .
C5A C 0.3841(2) 0.7615(2) 0.17944(14) 0.0249(5) Uani 1 1 d . . . . .
H5A H 0.296741 0.804699 0.207332 0.030 Uiso 1 1 calc R . . . .
C9B C -0.0261(2) 0.5254(3) 0.44426(15) 0.0343(5) Uani 1 1 d . . . . .
H9BA H -0.113015 0.591482 0.438569 0.041 Uiso 1 1 calc R . . . .
H9BB H -0.019986 0.486869 0.504404 0.041 Uiso 1 1 calc R . . . .
C1A C 0.4704(3) 0.8858(3) 0.13740(16) 0.0323(5) Uani 1 1 d . . . . .
H1A H 0.393236 0.959017 0.118270 0.039 Uiso 1 1 calc R . . . .
C7A C 0.2312(3) 0.7251(3) 0.03234(14) 0.0308(5) Uani 1 1 d . . . . .
H7A H 0.193617 0.820269 0.049287 0.037 Uiso 1 1 calc R . . . .
C10A C 0.5502(3) 0.8430(3) 0.05709(18) 0.0399(6) Uani 1 1 d . . . . .
C12A C 0.0870(3) 0.5401(3) 0.09625(18) 0.0431(6) Uani 1 1 d . . . . .
C14B C 0.1090(3) 0.7386(3) 0.40060(17) 0.0384(6) Uani 1 1 d . . . . .
H14A H 0.012945 0.780240 0.385141 0.046 Uiso 1 1 calc R . . . .
H14B H 0.198979 0.790512 0.393229 0.046 Uiso 1 1 calc R . . . .
C8B C -0.0581(2) 0.4032(3) 0.38029(15) 0.0321(5) Uani 1 1 d . . . . .
H8BA H -0.144373 0.347357 0.399117 0.038 Uiso 1 1 calc R . . . .
H8BB H -0.088267 0.442478 0.321742 0.038 Uiso 1 1 calc R . . . .
C13B C -0.0712(3) 0.0887(3) 0.31189(18) 0.0455(6) Uani 1 1 d . . . . .
H13A H -0.071386 0.009711 0.273611 0.055 Uiso 1 1 calc R . . . .
H13B H -0.155608 0.105697 0.345034 0.055 Uiso 1 1 calc R . . . .
C2B C 0.3892(2) 0.6321(3) 0.50311(14) 0.0306(5) Uani 1 1 d . . . . .
H2BA H 0.379566 0.725067 0.473520 0.037 Uiso 1 1 calc R . . . .
H2BB H 0.372339 0.646874 0.565457 0.037 Uiso 1 1 calc R . . . .
C11A C 0.0985(3) 0.6270(3) 0.01654(16) 0.0380(6) Uani 1 1 d . . . . .
C2A C 0.5678(3) 0.9477(3) 0.21523(19) 0.0462(7) Uani 1 1 d . . . . .
H2AA H 0.669687 0.972495 0.197508 0.055 Uiso 1 1 calc R . . . .
H2AB H 0.520118 1.034437 0.236705 0.055 Uiso 1 1 calc R . . . .
C8A C 0.3288(3) 0.7424(3) -0.04406(16) 0.0424(6) Uani 1 1 d . . . . .
H8AA H 0.263214 0.769922 -0.096480 0.051 Uiso 1 1 calc R . . . .
H8AB H 0.375425 0.650006 -0.056340 0.051 Uiso 1 1 calc R . . . .
C9A C 0.4542(3) 0.8529(3) -0.02816(17) 0.0465(7) Uani 1 1 d . . . . .
H9AA H 0.521964 0.846012 -0.076350 0.056 Uiso 1 1 calc R . . . .
H9AB H 0.406903 0.947823 -0.031629 0.056 Uiso 1 1 calc R . . . .
C14A C 0.6946(4) 0.8059(4) 0.0598(3) 0.0635(9) Uani 1 1 d . . . . .
H14C H 0.739966 0.784749 0.007233 0.076 Uiso 1 1 calc R . . . .
H14D H 0.752874 0.800356 0.114301 0.076 Uiso 1 1 calc R . . . .
C13A C 0.0031(4) 0.6132(4) -0.0533(2) 0.0632(9) Uani 1 1 d . . . . .
H13C H -0.076479 0.545783 -0.053706 0.076 Uiso 1 1 calc R . . . .
H13D H 0.014009 0.670789 -0.103153 0.076 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
O5 C4B 1.404(3) . ?
O5 C4A 1.438(2) . ?
O2 C6B 1.470(3) . ?
O2 C12B 1.343(3) . ?
O4 C4B 1.462(2) . ?
O4 C3B 1.356(3) . ?
O6 C6A 1.460(3) . ?
O6 C12A 1.355(3) . ?
O1 C12B 1.209(3) . ?
O3 C3B 1.203(3) . ?
O8 C3A 1.201(3) . ?
O7 C12A 1.197(3) . ?
C6B H6B 1.0000 . ?
C6B C5B 1.519(3) . ?
C6B C7B 1.541(3) . ?
C4B C5B 1.530(3) . ?
C4B C15B 1.517(3) . ?
C5B H5B 1.0000 . ?
C5B C1B 1.567(3) . ?
C11B C12B 1.482(3) . ?
C11B C7B 1.498(3) . ?
C11B C13B 1.321(4) . ?
C4A C15A 1.543(3) . ?
C4A C3A 1.541(3) . ?
C4A C5A 1.532(3) . ?
C15A H15A 0.9900 . ?
C15A H15B 0.9900 . ?
C15A C15B 1.529(3) . ?
C3A C2A 1.494(4) . ?
C6A H6A 1.0000 . ?
C6A C5A 1.512(3) . ?
C6A C7A 1.537(3) . ?
C10B C1B 1.531(3) . ?
C10B C9B 1.515(3) . ?
C10B C14B 1.325(4) . ?
C3B C2B 1.506(3) . ?
C7B H7B 1.0000 . ?
C7B C8B 1.522(3) . ?
C15B H15C 0.9900 . ?
C15B H15D 0.9900 . ?
C1B H1B 1.0000 . ?
C1B C2B 1.549(3) . ?
C5A H5A 1.0000 . ?
C5A C1A 1.567(3) . ?
C9B H9BA 0.9900 . ?
C9B H9BB 0.9900 . ?
C9B C8B 1.528(3) . ?
C1A H1A 1.0000 . ?
C1A C10A 1.523(4) . ?
C1A C2A 1.535(3) . ?
C7A H7A 1.0000 . ?
C7A C11A 1.502(3) . ?
C7A C8A 1.518(3) . ?
C10A C9A 1.508(4) . ?
C10A C14A 1.323(4) . ?
C12A C11A 1.484(4) . ?
C14B H14A 0.9500 . ?
C14B H14B 0.9500 . ?
C8B H8BA 0.9900 . ?
C8B H8BB 0.9900 . ?
C13B H13A 0.9500 . ?
C13B H13B 0.9500 . ?
C2B H2BA 0.9900 . ?
C2B H2BB 0.9900 . ?
C11A C13A 1.319(4) . ?
C2A H2AA 0.9900 . ?
C2A H2AB 0.9900 . ?
C8A H8AA 0.9900 . ?
C8A H8AB 0.9900 . ?
C8A C9A 1.530(4) . ?
C9A H9AA 0.9900 . ?
C9A H9AB 0.9900 . ?
C14A H14C 0.9500 . ?
C14A H14D 0.9500 . ?
C13A H13C 0.9500 . ?
C13A H13D 0.9500 . ?

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
C4B O5 C4A 111.23(15) . . ?
C12B O2 C6B 111.05(16) . . ?
C3B O4 C4B 117.71(15) . . ?
C12A O6 C6A 111.27(17) . . ?
O2 C6B H6B 109.6 . . ?
O2 C6B C5B 108.25(16) . . ?
O2 C6B C7B 105.56(17) . . ?
C5B C6B H6B 109.6 . . ?
C5B C6B C7B 114.22(17) . . ?
C7B C6B H6B 109.6 . . ?
O5 C4B O4 110.36(17) . . ?
O5 C4B C5B 109.73(16) . . ?
O5 C4B C15B 104.91(17) . . ?
O4 C4B C5B 105.65(16) . . ?
O4 C4B C15B 104.98(16) . . ?
C15B C4B C5B 120.97(19) . . ?
C6B C5B C4B 115.68(16) . . ?
C6B C5B H5B 106.6 . . ?
C6B C5B C1B 111.12(16) . . ?
C4B C5B H5B 106.6 . . ?
C4B C5B C1B 109.75(17) . . ?
C1B C5B H5B 106.6 . . ?
C12B C11B C7B 107.47(18) . . ?
C13B C11B C12B 121.3(2) . . ?
C13B C11B C7B 131.2(2) . . ?
O2 C12B C11B 109.6(2) . . ?
O1 C12B O2 121.3(2) . . ?
O1 C12B C11B 129.1(2) . . ?
O5 C4A C15A 105.29(17) . . ?
O5 C4A C3A 110.17(17) . . ?
O5 C4A C5A 109.31(16) . . ?
C3A C4A C15A 110.09(18) . . ?
C5A C4A C15A 119.57(18) . . ?
C5A C4A C3A 102.32(18) . . ?
C4A C15A H15A 111.2 . . ?
C4A C15A H15B 111.2 . . ?
H15A C15A H15B 109.1 . . ?
C15B C15A C4A 102.70(16) . . ?
C15B C15A H15A 111.2 . . ?
C15B C15A H15B 111.2 . . ?
O8 C3A C4A 124.6(2) . . ?
O8 C3A C2A 125.7(2) . . ?
C2A C3A C4A 109.74(19) . . ?
O6 C6A H6A 108.9 . . ?
O6 C6A C5A 109.36(16) . . ?
O6 C6A C7A 106.08(17) . . ?
C5A C6A H6A 108.9 . . ?
C5A C6A C7A 114.55(19) . . ?
C7A C6A H6A 108.9 . . ?
C9B C10B C1B 115.1(2) . . ?
C14B C10B C1B 124.8(2) . . ?
C14B C10B C9B 120.1(2) . . ?
O4 C3B C2B 116.70(17) . . ?
O3 C3B O4 118.4(2) . . ?
O3 C3B C2B 124.9(2) . . ?
C6B C7B H7B 108.7 . . ?
C11B C7B C6B 102.50(17) . . ?
C11B C7B H7B 108.7 . . ?
C11B C7B C8B 115.50(18) . . ?
C8B C7B C6B 112.56(18) . . ?
C8B C7B H7B 108.7 . . ?
C4B C15B C15A 101.68(18) . . ?
C4B C15B H15C 111.4 . . ?
C4B C15B H15D 111.4 . . ?
C15A C15B H15C 111.4 . . ?
C15A C15B H15D 111.4 . . ?
H15C C15B H15D 109.3 . . ?
C5B C1B H1B 105.9 . . ?
C10B C1B C5B 115.23(16) . . ?
C10B C1B H1B 105.9 . . ?
C10B C1B C2B 113.35(19) . . ?
C2B C1B C5B 109.85(16) . . ?
C2B C1B H1B 105.9 . . ?
C4A C5A H5A 106.8 . . ?
C4A C5A C1A 105.97(17) . . ?
C6A C5A C4A 117.54(19) . . ?
C6A C5A H5A 106.8 . . ?
C6A C5A C1A 112.43(18) . . ?
C1A C5A H5A 106.8 . . ?
C10B C9B H9BA 108.4 . . ?
C10B C9B H9BB 108.4 . . ?
C10B C9B C8B 115.43(18) . . ?
H9BA C9B H9BB 107.5 . . ?
C8B C9B H9BA 108.4 . . ?
C8B C9B H9BB 108.4 . . ?
C5A C1A H1A 107.2 . . ?
C10A C1A C5A 113.9(2) . . ?
C10A C1A H1A 107.2 . . ?
C10A C1A C2A 117.6(2) . . ?
C2A C1A C5A 103.16(19) . . ?
C2A C1A H1A 107.2 . . ?
C6A C7A H7A 109.0 . . ?
C11A C7A C6A 102.08(19) . . ?
C11A C7A H7A 109.0 . . ?
C11A C7A C8A 115.2(2) . . ?
C8A C7A C6A 112.3(2) . . ?
C8A C7A H7A 109.0 . . ?
C9A C10A C1A 114.8(2) . . ?
C14A C10A C1A 123.6(3) . . ?
C14A C10A C9A 121.5(3) . . ?
O6 C12A C11A 108.6(2) . . ?
O7 C12A O6 121.7(2) . . ?
O7 C12A C11A 129.7(2) . . ?
C10B C14B H14A 120.0 . . ?
C10B C14B H14B 120.0 . . ?
H14A C14B H14B 120.0 . . ?
C7B C8B C9B 113.42(18) . . ?
C7B C8B H8BA 108.9 . . ?
C7B C8B H8BB 108.9 . . ?
C9B C8B H8BA 108.9 . . ?
C9B C8B H8BB 108.9 . . ?
H8BA C8B H8BB 107.7 . . ?
C11B C13B H13A 120.0 . . ?
C11B C13B H13B 120.0 . . ?
H13A C13B H13B 120.0 . . ?
C3B C2B C1B 113.65(19) . . ?
C3B C2B H2BA 108.8 . . ?
C3B C2B H2BB 108.8 . . ?
C1B C2B H2BA 108.8 . . ?
C1B C2B H2BB 108.8 . . ?
H2BA C2B H2BB 107.7 . . ?
C12A C11A C7A 108.1(2) . . ?
C13A C11A C7A 129.5(3) . . ?
C13A C11A C12A 122.4(3) . . ?
C3A C2A C1A 107.5(2) . . ?
C3A C2A H2AA 110.2 . . ?
C3A C2A H2AB 110.2 . . ?
C1A C2A H2AA 110.2 . . ?
C1A C2A H2AB 110.2 . . ?
H2AA C2A H2AB 108.5 . . ?
C7A C8A H8AA 108.9 . . ?
C7A C8A H8AB 108.9 . . ?
C7A C8A C9A 113.5(2) . . ?
H8AA C8A H8AB 107.7 . . ?
C9A C8A H8AA 108.9 . . ?
C9A C8A H8AB 108.9 . . ?
C10A C9A C8A 116.7(2) . . ?
C10A C9A H9AA 108.1 . . ?
C10A C9A H9AB 108.1 . . ?
C8A C9A H9AA 108.1 . . ?
C8A C9A H9AB 108.1 . . ?
H9AA C9A H9AB 107.3 . . ?
C10A C14A H14C 120.0 . . ?
C10A C14A H14D 120.0 . . ?
H14C C14A H14D 120.0 . . ?
C11A C13A H13C 120.0 . . ?
C11A C13A H13D 120.0 . . ?
H13C C13A H13D 120.0 . . ?


_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: MeOH'
_chemical_compound_source        'Natural product'
