# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# 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_TM65a_20200915
_database_code_depnum_ccdc_archive 'CCDC 2106901'
loop_
_audit_author_name
_audit_author_address
'Shao-Jiang Song'
;Shenyang Pharmaceutical University
China
;
_audit_update_record             
;
2021-09-01 deposited with the CCDC.	2022-07-08 downloaded from the CCDC.
;
_chemical_name_systematic        'vibsanoid A'
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C21 H30 O6'
_chemical_formula_iupac          ?
_chemical_formula_weight         378.45
_chemical_absolute_configuration ad

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_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                   6.8059(6)
_cell_length_b                   11.1722(9)
_cell_length_c                   12.3471(11)
_cell_angle_alpha                90
_cell_angle_beta                 95.962(5)
_cell_angle_gamma                90
_cell_volume                     933.76(14)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4619
_cell_measurement_theta_min      3.5992
_cell_measurement_theta_max      67.3116
_cell_measurement_temperature    153.(2)

_exptl_crystal_description       ?
_exptl_crystal_colour            white
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_diffrn    1.346
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             408

_exptl_absorpt_coefficient_mu    0.799
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?

_exptl_special_details           
;
;

_diffrn_ambient_temperature      153.(2)

_diffrn_source                   ?
_diffrn_source_type              ?

_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_monochromator  ?

_diffrn_measurement_device_type  'Bruker D8 QUEST PHOTON II'
_diffrn_measurement_method       ?

_diffrn_detector_area_resol_mean 7.3910

_diffrn_reflns_number            13150
_diffrn_reflns_av_R_equivalents  0.1556
_diffrn_reflns_av_unetI/netI     0.1099
_diffrn_reflns_theta_min         3.60
_diffrn_reflns_theta_max         67.49
_diffrn_reflns_theta_full        67.49
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14

_refine_special_details          
;
;

_reflns_number_total             3263
_reflns_number_gt                2495
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.1008
_refine_ls_R_factor_gt           0.0671
_refine_ls_wR_factor_gt          0.1715
_refine_ls_wR_factor_ref         0.1953
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_restrained_S_all      1.103
_refine_ls_number_reflns         3263
_refine_ls_number_parameters     250
_refine_ls_number_restraints     1
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1073P)²+0.0067P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.486
_refine_diff_density_min         -0.475
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;

Flack x determined using 841 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.3(3)

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'

_computing_data_collection       ?
_computing_cell_refinement       'SAINT V8.40A (Bruker Nano, Inc., 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker Nano, Inc., 2019)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 958)'
_computing_publication_material  ?

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O O1 0.7764(6) 0.5522(4) 0.2413(3) 0.0370(9) Uani d . . . 1 . .
O O2 0.6512(7) 0.7376(4) 0.2558(4) 0.0463(11) Uani d . . . 1 . .
O O3 0.4639(6) 0.4504(4) 0.4450(3) 0.0347(9) Uani d . . . 1 . .
O O4 0.4681(7) 0.0676(4) 0.3401(4) 0.0444(10) Uani d . . . 1 . .
H H4A 0.522817 0.04228 0.399809 0.067 Uiso calc U . R 1 . .
O O5 0.8942(6) 0.3445(4) 0.4053(3) 0.0356(9) Uani d . . . 1 . .
O O6 0.2871(6) 0.2855(4) 0.4738(3) 0.0380(9) Uani d . . . 1 . .
H H6A 0.189015 0.312801 0.43465 0.057 Uiso calc U . R 1 . .
C C1 1.2175(12) 0.8450(7) 0.1279(8) 0.061(2) Uani d . . . 1 . .
H H26 1.277659 0.768622 0.11056 0.091 Uiso calc U . R 1 . .
H H27 1.309873 0.890202 0.178623 0.091 Uiso calc U . R 1 . .
H H1 1.186833 0.891409 0.060908 0.091 Uiso calc U . R 1 . .
C C2 1.0312(10) 0.8219(6) 0.1793(5) 0.0428(14) Uani d . . . 1 . .
C C3 0.9654(9) 0.7095(6) 0.1864(5) 0.0415(14) Uani d . . . 1 . .
H H5 1.043238 0.647395 0.160225 0.05 Uiso calc U . R 1 . .
C C4 0.7815(9) 0.6744(5) 0.2317(5) 0.0367(12) Uani d . . . 1 . .
C C5 0.6049(8) 0.5033(6) 0.2869(5) 0.0354(12) Uani d . . . 1 . .
H H25 0.489946 0.556521 0.263958 0.043 Uiso calc U . R 1 . .
C C6 0.5621(8) 0.3816(5) 0.2344(4) 0.0334(11) Uani d . . . 1 . .
H H9 0.685675 0.348583 0.20863 0.04 Uiso calc U . R 1 . .
C C7 0.4665(8) 0.2839(5) 0.3082(4) 0.0338(12) Uani d . . . 1 . .
C C8 0.2537(9) 0.2694(6) 0.2453(5) 0.0376(12) Uani d . . . 1 . .
H H17 0.151517 0.2414 0.29215 0.045 Uiso calc U . R 1 . .
C C9 0.2623(10) 0.1954(6) 0.1410(5) 0.0436(14) Uani d . . . 1 . .
H H15 0.1283 0.180159 0.104321 0.052 Uiso calc U . R 1 . .
H H2 0.330169 0.118035 0.156756 0.052 Uiso calc U . R 1 . .
C C10 0.9361(12) 0.9318(6) 0.2193(6) 0.0515(16) Uani d . . . 1 . .
H H4 0.894948 0.984334 0.157525 0.077 Uiso calc U . R 1 . .
H H3 1.030772 0.974089 0.270983 0.077 Uiso calc U . R 1 . .
H H28 0.820315 0.908935 0.255578 0.077 Uiso calc U . R 1 . .
C C11 0.6371(8) 0.5055(5) 0.4100(5) 0.0358(12) Uani d . . . 1 . .
H H24 0.636048 0.591362 0.432926 0.043 Uiso calc U . R 1 . .
C C12 0.4599(8) 0.3208(5) 0.4316(4) 0.0332(12) Uani d . . . 1 . .
C C13 0.5811(9) 0.1651(6) 0.3029(5) 0.0397(13) Uani d . . . 1 . .
H H6 0.609106 0.149968 0.227025 0.048 Uiso calc U . R 1 . .
H H7 0.708752 0.171133 0.348935 0.048 Uiso calc U . R 1 . .
C C14 0.2121(8) 0.3937(6) 0.1953(5) 0.0379(13) Uani d . . . 1 . .
H H16 0.211117 0.457531 0.250874 0.045 Uiso calc U . R 1 . .
H H8 0.088702 0.396296 0.145223 0.045 Uiso calc U . R 1 . .
C C15 0.3996(9) 0.3963(6) 0.1348(5) 0.0388(13) Uani d . . . 1 . .
C C16 0.4274(11) 0.5028(6) 0.0621(5) 0.0463(15) Uani d . . . 1 . .
H H10 0.555567 0.496651 0.032991 0.07 Uiso calc U . R 1 . .
H H12 0.422854 0.576705 0.104503 0.07 Uiso calc U . R 1 . .
H H11 0.321685 0.503905 0.001841 0.07 Uiso calc U . R 1 . .
C C17 0.3833(10) 0.2778(6) 0.0708(5) 0.0434(14) Uani d . . . 1 . .
H H14 0.515616 0.243581 0.063771 0.052 Uiso calc U . R 1 . .
H H13 0.313484 0.289605 -0.002871 0.052 Uiso calc U . R 1 . .
C C18 0.6254(9) 0.2728(6) 0.5155(5) 0.0376(12) Uani d . . . 1 . .
H H23 0.58309 0.281682 0.589403 0.045 Uiso calc U . R 1 . .
H H22 0.643138 0.18623 0.502227 0.045 Uiso calc U . R 1 . .
C C19 0.8195(9) 0.3342(6) 0.5123(4) 0.0359(12) Uani d . . . 1 . .
H H21 0.920813 0.318109 0.575171 0.043 Uiso calc U . R 1 . .
C C20 0.8307(8) 0.4515(6) 0.4604(5) 0.0364(12) Uani d . . . 1 . .
C C21 0.9923(10) 0.5386(6) 0.4945(6) 0.0444(14) Uani d . . . 1 . .
H H18 0.949659 0.592266 0.550396 0.067 Uiso calc U . R 1 . .
H H20 1.022265 0.585745 0.431346 0.067 Uiso calc U . R 1 . .
H H19 1.110702 0.494982 0.524181 0.067 Uiso calc U . R 1 . .


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
O1 C4 . 1.370(7) ?
O1 C5 . 1.455(7) ?
O2 C4 . 1.195(8) ?
O3 C11 . 1.436(7) ?
O3 C12 . 1.458(7) ?
O4 C13 . 1.436(8) ?
O4 H4A . 0.84 ?
O5 C20 . 1.464(7) ?
O5 C19 . 1.468(7) ?
O6 C12 . 1.392(7) ?
O6 H6A . 0.84 ?
C1 C2 . 1.498(9) ?
C1 H26 . 0.98 ?
C1 H27 . 0.98 ?
C1 H1 . 0.98 ?
C2 C3 . 1.339(9) ?
C2 C10 . 1.496(10) ?
C3 C4 . 1.476(8) ?
C3 H5 . 0.95 ?
C5 C11 . 1.513(8) ?
C5 C6 . 1.521(8) ?
C5 H25 . 1.0 ?
C6 C15 . 1.575(8) ?
C6 C7 . 1.602(8) ?
C6 H9 . 1.0 ?
C7 C13 . 1.544(9) ?
C7 C8 . 1.579(8) ?
C7 C12 . 1.584(7) ?
C8 C14 . 1.534(9) ?
C8 C9 . 1.537(9) ?
C8 H17 . 1.0 ?
C9 C17 . 1.557(9) ?
C9 H15 . 0.99 ?
C9 H2 . 0.99 ?
C10 H4 . 0.98 ?
C10 H3 . 0.98 ?
C10 H28 . 0.98 ?
C11 C20 . 1.522(8) ?
C11 H24 . 1.0 ?
C12 C18 . 1.545(8) ?
C13 H6 . 0.99 ?
C13 H7 . 0.99 ?
C14 C15 . 1.545(8) ?
C14 H16 . 0.99 ?
C14 H8 . 0.99 ?
C15 C16 . 1.514(9) ?
C15 C17 . 1.540(9) ?
C16 H10 . 0.98 ?
C16 H12 . 0.98 ?
C16 H11 . 0.98 ?
C17 H14 . 0.99 ?
C17 H13 . 0.99 ?
C18 C19 . 1.493(8) ?
C18 H23 . 0.99 ?
C18 H22 . 0.99 ?
C19 C20 . 1.464(9) ?
C19 H21 . 1.0 ?
C20 C21 . 1.496(9) ?
C21 H18 . 0.98 ?
C21 H20 . 0.98 ?
C21 H19 . 0.98 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C4 O1 C5 . . 115.9(5) ?
C11 O3 C12 . . 113.5(4) ?
C13 O4 H4A . . 109.5 ?
C20 O5 C19 . . 59.9(4) ?
C12 O6 H6A . . 109.5 ?
C2 C1 H26 . . 109.5 ?
C2 C1 H27 . . 109.5 ?
H26 C1 H27 . . 109.5 ?
C2 C1 H1 . . 109.5 ?
H26 C1 H1 . . 109.5 ?
H27 C1 H1 . . 109.5 ?
C3 C2 C10 . . 126.1(6) ?
C3 C2 C1 . . 119.6(7) ?
C10 C2 C1 . . 114.4(6) ?
C2 C3 C4 . . 125.2(6) ?
C2 C3 H5 . . 117.4 ?
C4 C3 H5 . . 117.4 ?
O2 C4 O1 . . 122.8(5) ?
O2 C4 C3 . . 128.1(6) ?
O1 C4 C3 . . 109.1(5) ?
O1 C5 C11 . . 110.1(5) ?
O1 C5 C6 . . 107.3(4) ?
C11 C5 C6 . . 116.4(5) ?
O1 C5 H25 . . 107.6 ?
C11 C5 H25 . . 107.6 ?
C6 C5 H25 . . 107.6 ?
C5 C6 C15 . . 109.1(5) ?
C5 C6 C7 . . 116.0(4) ?
C15 C6 C7 . . 102.8(4) ?
C5 C6 H9 . . 109.6 ?
C15 C6 H9 . . 109.6 ?
C7 C6 H9 . . 109.6 ?
C13 C7 C8 . . 109.4(5) ?
C13 C7 C12 . . 109.2(5) ?
C8 C7 C12 . . 112.5(4) ?
C13 C7 C6 . . 108.9(5) ?
C8 C7 C6 . . 101.3(4) ?
C12 C7 C6 . . 115.1(5) ?
C14 C8 C9 . . 99.9(5) ?
C14 C8 C7 . . 103.1(5) ?
C9 C8 C7 . . 110.8(5) ?
C14 C8 H17 . . 113.9 ?
C9 C8 H17 . . 113.9 ?
C7 C8 H17 . . 113.9 ?
C8 C9 C17 . . 102.5(5) ?
C8 C9 H15 . . 111.3 ?
C17 C9 H15 . . 111.3 ?
C8 C9 H2 . . 111.3 ?
C17 C9 H2 . . 111.3 ?
H15 C9 H2 . . 109.2 ?
C2 C10 H4 . . 109.5 ?
C2 C10 H3 . . 109.5 ?
H4 C10 H3 . . 109.5 ?
C2 C10 H28 . . 109.5 ?
H4 C10 H28 . . 109.5 ?
H3 C10 H28 . . 109.5 ?
O3 C11 C5 . . 104.9(4) ?
O3 C11 C20 . . 114.2(5) ?
C5 C11 C20 . . 115.7(5) ?
O3 C11 H24 . . 107.2 ?
C5 C11 H24 . . 107.2 ?
C20 C11 H24 . . 107.2 ?
O6 C12 O3 . . 104.2(4) ?
O6 C12 C18 . . 103.6(4) ?
O3 C12 C18 . . 105.4(5) ?
O6 C12 C7 . . 113.3(5) ?
O3 C12 C7 . . 111.4(4) ?
C18 C12 C7 . . 117.6(5) ?
O4 C13 C7 . . 110.4(5) ?
O4 C13 H6 . . 109.6 ?
C7 C13 H6 . . 109.6 ?
O4 C13 H7 . . 109.6 ?
C7 C13 H7 . . 109.6 ?
H6 C13 H7 . . 108.1 ?
C8 C14 C15 . . 94.8(5) ?
C8 C14 H16 . . 112.8 ?
C15 C14 H16 . . 112.8 ?
C8 C14 H8 . . 112.8 ?
C15 C14 H8 . . 112.8 ?
H16 C14 H8 . . 110.2 ?
C16 C15 C17 . . 112.2(5) ?
C16 C15 C14 . . 117.5(5) ?
C17 C15 C14 . . 102.3(5) ?
C16 C15 C6 . . 115.1(5) ?
C17 C15 C6 . . 108.6(5) ?
C14 C15 C6 . . 99.7(4) ?
C15 C16 H10 . . 109.5 ?
C15 C16 H12 . . 109.5 ?
H10 C16 H12 . . 109.5 ?
C15 C16 H11 . . 109.5 ?
H10 C16 H11 . . 109.5 ?
H12 C16 H11 . . 109.5 ?
C15 C17 C9 . . 103.6(5) ?
C15 C17 H14 . . 111.0 ?
C9 C17 H14 . . 111.0 ?
C15 C17 H13 . . 111.0 ?
C9 C17 H13 . . 111.0 ?
H14 C17 H13 . . 109.0 ?
C19 C18 C12 . . 114.1(5) ?
C19 C18 H23 . . 108.7 ?
C12 C18 H23 . . 108.7 ?
C19 C18 H22 . . 108.7 ?
C12 C18 H22 . . 108.7 ?
H23 C18 H22 . . 107.6 ?
C20 C19 O5 . . 59.9(3) ?
C20 C19 C18 . . 120.7(5) ?
O5 C19 C18 . . 116.7(5) ?
C20 C19 H21 . . 115.9 ?
O5 C19 H21 . . 115.9 ?
C18 C19 H21 . . 115.9 ?
O5 C20 C19 . . 60.2(4) ?
O5 C20 C21 . . 114.8(5) ?
C19 C20 C21 . . 122.0(6) ?
O5 C20 C11 . . 114.7(5) ?
C19 C20 C11 . . 116.8(5) ?
C21 C20 C11 . . 115.9(6) ?
C20 C21 H18 . . 109.5 ?
C20 C21 H20 . . 109.5 ?
H18 C21 H20 . . 109.5 ?
C20 C21 H19 . . 109.5 ?
H18 C21 H19 . . 109.5 ?
H20 C21 H19 . . 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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C10 C2 C3 C4 . . . . 2.5(11) ?
C1 C2 C3 C4 . . . . -178.0(6) ?
C5 O1 C4 O2 . . . . -2.3(8) ?
C5 O1 C4 C3 . . . . 179.0(5) ?
C2 C3 C4 O2 . . . . 10.5(11) ?
C2 C3 C4 O1 . . . . -170.9(6) ?
C4 O1 C5 C11 . . . . -84.4(6) ?
C4 O1 C5 C6 . . . . 148.1(5) ?
O1 C5 C6 C15 . . . . -95.6(5) ?
C11 C5 C6 C15 . . . . 140.6(5) ?
O1 C5 C6 C7 . . . . 149.0(5) ?
C11 C5 C6 C7 . . . . 25.2(7) ?
C5 C6 C7 C13 . . . . -132.0(5) ?
C15 C6 C7 C13 . . . . 109.1(5) ?
C5 C6 C7 C8 . . . . 112.7(5) ?
C15 C6 C7 C8 . . . . -6.2(5) ?
C5 C6 C7 C12 . . . . -9.0(7) ?
C15 C6 C7 C12 . . . . -127.9(5) ?
C13 C7 C8 C14 . . . . -145.7(5) ?
C12 C7 C8 C14 . . . . 92.7(5) ?
C6 C7 C8 C14 . . . . -30.7(5) ?
C13 C7 C8 C9 . . . . -39.7(7) ?
C12 C7 C8 C9 . . . . -161.3(5) ?
C6 C7 C8 C9 . . . . 75.3(6) ?
C14 C8 C9 C17 . . . . 42.4(6) ?
C7 C8 C9 C17 . . . . -65.7(6) ?
C12 O3 C11 C5 . . . . 74.8(5) ?
C12 O3 C11 C20 . . . . -52.8(6) ?
O1 C5 C11 O3 . . . . -177.4(5) ?
C6 C5 C11 O3 . . . . -55.1(6) ?
O1 C5 C11 C20 . . . . -50.6(7) ?
C6 C5 C11 C20 . . . . 71.7(7) ?
C11 O3 C12 O6 . . . . 177.6(4) ?
C11 O3 C12 C18 . . . . 68.8(5) ?
C11 O3 C12 C7 . . . . -59.8(6) ?
C13 C7 C12 O6 . . . . -96.1(6) ?
C8 C7 C12 O6 . . . . 25.7(7) ?
C6 C7 C12 O6 . . . . 141.1(5) ?
C13 C7 C12 O3 . . . . 146.7(5) ?
C8 C7 C12 O3 . . . . -91.5(6) ?
C6 C7 C12 O3 . . . . 23.9(6) ?
C13 C7 C12 C18 . . . . 24.9(7) ?
C8 C7 C12 C18 . . . . 146.7(5) ?
C6 C7 C12 C18 . . . . -97.9(6) ?
C8 C7 C13 O4 . . . . -53.1(6) ?
C12 C7 C13 O4 . . . . 70.5(6) ?
C6 C7 C13 O4 . . . . -163.0(4) ?
C9 C8 C14 C15 . . . . -58.4(5) ?
C7 C8 C14 C15 . . . . 55.8(5) ?
C8 C14 C15 C16 . . . . 176.1(5) ?
C8 C14 C15 C17 . . . . 52.8(5) ?
C8 C14 C15 C6 . . . . -58.8(5) ?
C5 C6 C15 C16 . . . . 43.7(6) ?
C7 C6 C15 C16 . . . . 167.3(5) ?
C5 C6 C15 C17 . . . . 170.4(5) ?
C7 C6 C15 C17 . . . . -66.0(6) ?
C5 C6 C15 C14 . . . . -83.0(5) ?
C7 C6 C15 C14 . . . . 40.6(6) ?
C16 C15 C17 C9 . . . . -154.3(5) ?
C14 C15 C17 C9 . . . . -27.5(6) ?
C6 C15 C17 C9 . . . . 77.3(6) ?
C8 C9 C17 C15 . . . . -8.9(6) ?
O6 C12 C18 C19 . . . . -159.0(5) ?
O3 C12 C18 C19 . . . . -49.8(6) ?
C7 C12 C18 C19 . . . . 75.1(7) ?
C20 O5 C19 C18 . . . . 111.6(6) ?
C12 C18 C19 C20 . . . . 18.6(8) ?
C12 C18 C19 O5 . . . . -50.6(7) ?
C19 O5 C20 C21 . . . . 114.1(6) ?
C19 O5 C20 C11 . . . . -108.0(6) ?
C18 C19 C20 O5 . . . . -105.1(6) ?
O5 C19 C20 C21 . . . . -102.2(6) ?
C18 C19 C20 C21 . . . . 152.7(6) ?
O5 C19 C20 C11 . . . . 104.5(5) ?
C18 C19 C20 C11 . . . . -0.6(8) ?
O3 C11 C20 O5 . . . . 83.7(6) ?
C5 C11 C20 O5 . . . . -38.2(7) ?
O3 C11 C20 C19 . . . . 16.1(7) ?
C5 C11 C20 C19 . . . . -105.9(6) ?
O3 C11 C20 C21 . . . . -138.9(5) ?
C5 C11 C20 C21 . . . . 99.2(6) ?


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: methanol'
_chemical_compound_source        'Viburnum odoratissimum'
