# 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_yzt_tg229
_database_code_depnum_ccdc_archive 'CCDC 1918369'
loop_
_audit_author_name
_audit_author_address
A
;Yunnan University
China
;
_audit_update_record             
;
2019-05-24 deposited with the CCDC.	2019-10-11 downloaded from the CCDC.
;
_chemical_name_systematic        'Epicorpenoid A'
_chemical_name_common            ?
_chemical_formula_moiety         'C18 H26 O6'
_chemical_formula_sum            'C18 H26 O6'
_chemical_formula_iupac          ?
_chemical_formula_weight         338.39
_chemical_absolute_configuration ad

_chemical_melting_point          ?

_space_group_crystal_system      hexagonal
_space_group_name_H-M_alt        'P 65'
_space_group_name_Hall           'P 65'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x-y, x, z+5/6'
'y, -x+y, z+1/6'
'-y, x-y, z+2/3'
'-x+y, -x, z+1/3'
'-x, -y, z+1/2'

_cell_length_a                   20.3875(7)
_cell_length_b                   20.3875(7)
_cell_length_c                   7.4174(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     2670.0(2)
_cell_formula_units_Z            6
_cell_measurement_reflns_used    9789
_cell_measurement_theta_min      2.5025
_cell_measurement_theta_max      72.2287
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       prism
_exptl_crystal_colour            'translucent light yellow'
_exptl_crystal_size_max          0.330
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.130
_exptl_crystal_density_diffrn    1.263
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1092

_exptl_absorpt_coefficient_mu    0.777
_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  0.84
_exptl_absorpt_correction_T_max  0.91

_exptl_special_details           
;
;

_diffrn_ambient_temperature      100.(2)

_diffrn_source                   'Ius Diamond'
_diffrn_source_type              Microfocus

_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_monochromator  'Helixos MX multilayer Optic'

_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON II'
_diffrn_measurement_method       ?

_diffrn_detector_area_resol_mean 7.3910

_diffrn_reflns_number            39060
_diffrn_reflns_av_R_equivalents  0.0316
_diffrn_reflns_av_unetI/netI     0.0127
_diffrn_reflns_theta_min         2.50
_diffrn_reflns_theta_max         72.41
_diffrn_reflns_theta_full        72.41
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       9

_refine_special_details          
;
;

_reflns_number_total             3518
_reflns_number_gt                3480
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0256
_refine_ls_R_factor_gt           0.0254
_refine_ls_wR_factor_gt          0.0844
_refine_ls_wR_factor_ref         0.0852
_refine_ls_goodness_of_fit_ref   0.831
_refine_ls_restrained_S_all      0.831
_refine_ls_number_reflns         3518
_refine_ls_number_parameters     223
_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)+(0.1000P)²] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.246
_refine_diff_density_min         -0.166
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;

Flack x determined using 1585 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.06(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       'Bruker Instrument Service vV6.2.9'
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 882)'
_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 0.67164(5) 0.90877(5) 0.23630(14) 0.0151(2) Uani d . . . 1 . .
O O2 0.81880(6) 1.05813(6) -0.02404(18) 0.0262(3) Uani d . . . 1 . .
H H24 0.818758 1.089061 -0.0988 0.039 Uiso calc U . R 1 . .
O O3 0.70083(6) 1.03430(5) 0.03542(15) 0.0198(2) Uani d . . . 1 . .
O O4 0.75009(5) 1.06650(5) 0.43628(14) 0.0164(2) Uani d . . . 1 . .
O O5 0.68199(6) 0.83529(5) 0.55064(14) 0.0161(2) Uani d . . . 1 . .
H H25 0.677322 0.808562 0.460051 0.024 Uiso calc U . R 1 . .
O O6 0.67432(6) 1.11178(5) 0.33093(17) 0.0211(2) Uani d . . . 1 . .
H H26 0.682402 1.10463 0.223644 0.032 Uiso calc U . R 1 . .
C C1 0.44159(9) 0.69992(9) 0.7589(4) 0.0380(4) Uani d . . . 1 . .
H H12 0.449741 0.66544 0.835348 0.057 Uiso calc U . R 1 . .
H H13 0.458961 0.699106 0.636125 0.057 Uiso calc U . R 1 . .
H H1 0.387514 0.683686 0.75659 0.057 Uiso calc U . R 1 . .
C C2 0.48614(8) 0.78032(8) 0.8346(2) 0.0209(3) Uani d . . . 1 . .
C C3 0.57266(8) 0.80787(7) 0.8422(2) 0.0174(3) Uani d . . . 1 . .
H H19 0.590995 0.818916 0.968243 0.021 Uiso calc U . R 1 . .
H H20 0.582474 0.768263 0.794253 0.021 Uiso calc U . R 1 . .
C C4 0.61362(7) 0.88018(7) 0.72643(19) 0.0137(3) Uani d . . . 1 . .
H H22 0.661976 0.917669 0.786331 0.016 Uiso calc U . R 1 . .
C C5 0.63001(7) 0.86333(6) 0.53665(18) 0.0127(3) Uani d . . . 1 . .
H H21 0.58173 0.823279 0.481363 0.015 Uiso calc U . R 1 . .
C C6 0.66435(7) 0.93299(7) 0.41557(17) 0.0123(3) Uani d . . . 1 . .
C C7 0.74601(7) 0.95546(7) 0.1696(2) 0.0172(3) Uani d . . . 1 . .
H H23 0.761144 0.924267 0.09524 0.021 Uiso calc U . R 1 . .
C C8 0.75131(8) 1.02052(7) 0.0545(2) 0.0177(3) Uani d . . . 1 . .
C C9 0.74538(7) 0.99450(7) 0.46961(19) 0.0141(3) Uani d . . . 1 . .
H H2 0.757369 0.989141 0.597633 0.017 Uiso calc U . R 1 . .
C C10 0.79654(7) 0.98457(7) 0.3373(2) 0.0174(3) Uani d . . . 1 . .
H H4 0.810264 0.947198 0.381574 0.021 Uiso calc U . R 1 . .
H H3 0.843321 1.033244 0.313087 0.021 Uiso calc U . R 1 . .
C C11 0.67462(7) 1.05703(7) 0.4398(2) 0.0158(3) Uani d . . . 1 . .
C C12 0.61715(7) 0.97218(7) 0.40749(19) 0.0140(3) Uani d . . . 1 . .
H H5 0.586681 0.961805 0.294625 0.017 Uiso calc U . R 1 . .
C C13 0.57440(8) 0.97240(7) 0.5833(2) 0.0154(3) Uani d . . . 1 . .
C C14 0.64202(8) 1.05303(7) 0.6291(2) 0.0176(3) Uani d . . . 1 . .
H H7 0.626608 1.09137 0.650407 0.021 Uiso calc U . R 1 . .
H H6 0.674769 1.053231 0.72792 0.021 Uiso calc U . R 1 . .
C C15 0.50401(8) 0.97705(9) 0.5330(2) 0.0220(3) Uani d . . . 1 . .
H H9 0.467878 0.93071 0.469593 0.033 Uiso calc U . R 1 . .
H H8 0.518672 1.020885 0.454453 0.033 Uiso calc U . R 1 . .
H H10 0.480414 0.982522 0.642765 0.033 Uiso calc U . R 1 . .
C C16 0.55779(7) 0.91092(7) 0.7240(2) 0.0148(3) Uani d . . . 1 . .
H H11 0.560001 0.933276 0.845398 0.018 Uiso calc U . R 1 . .
C C17 0.45757(11) 0.78331(12) 1.0236(3) 0.0391(5) Uani d . . . 1 . .
H H15 0.402963 0.764453 1.019145 0.059 Uiso calc U . R 1 . .
H H14 0.483846 0.835721 1.067126 0.059 Uiso calc U . R 1 . .
H H16 0.467617 0.751662 1.105662 0.059 Uiso calc U . R 1 . .
C C18 0.48076(8) 0.83788(8) 0.7088(2) 0.0190(3) Uani d . . . 1 . .
H H17 0.471075 0.819189 0.583005 0.023 Uiso calc U . R 1 . .
H H18 0.439407 0.846769 0.747856 0.023 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 C7 . 1.4165(16) ?
O1 C6 . 1.4517(16) ?
O2 C8 . 1.3289(18) ?
O2 H24 . 0.84 ?
O3 C8 . 1.2030(18) ?
O4 C9 . 1.4436(14) ?
O4 C11 . 1.4522(16) ?
O5 C5 . 1.4374(14) ?
O5 H25 . 0.84 ?
O6 C11 . 1.3799(17) ?
O6 H26 . 0.84 ?
C1 C2 . 1.529(2) ?
C1 H12 . 0.98 ?
C1 H13 . 0.98 ?
C1 H1 . 0.98 ?
C2 C17 . 1.531(3) ?
C2 C18 . 1.5455(19) ?
C2 C3 . 1.5618(17) ?
C3 C4 . 1.5419(18) ?
C3 H19 . 0.99 ?
C3 H20 . 0.99 ?
C4 C5 . 1.5252(18) ?
C4 C16 . 1.5497(15) ?
C4 H22 . 1.0 ?
C5 C6 . 1.5230(17) ?
C5 H21 . 1.0 ?
C6 C12 . 1.5287(16) ?
C6 C9 . 1.5463(17) ?
C7 C10 . 1.533(2) ?
C7 C8 . 1.5349(19) ?
C7 H23 . 1.0 ?
C9 C10 . 1.5177(19) ?
C9 H2 . 1.0 ?
C10 H4 . 0.99 ?
C10 H3 . 0.99 ?
C11 C14 . 1.539(2) ?
C11 C12 . 1.5477(16) ?
C12 C13 . 1.5697(19) ?
C12 H5 . 1.0 ?
C13 C15 . 1.5307(18) ?
C13 C16 . 1.5333(18) ?
C13 C14 . 1.5660(18) ?
C14 H7 . 0.99 ?
C14 H6 . 0.99 ?
C15 H9 . 0.98 ?
C15 H8 . 0.98 ?
C15 H10 . 0.98 ?
C16 C18 . 1.5355(17) ?
C16 H11 . 1.0 ?
C17 H15 . 0.98 ?
C17 H14 . 0.98 ?
C17 H16 . 0.98 ?
C18 H17 . 0.99 ?
C18 H18 . 0.99 ?

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
C7 O1 C6 . . 110.41(10) ?
C8 O2 H24 . . 109.5 ?
C9 O4 C11 . . 109.54(9) ?
C5 O5 H25 . . 109.5 ?
C11 O6 H26 . . 109.5 ?
C2 C1 H12 . . 109.5 ?
C2 C1 H13 . . 109.5 ?
H12 C1 H13 . . 109.5 ?
C2 C1 H1 . . 109.5 ?
H12 C1 H1 . . 109.5 ?
H13 C1 H1 . . 109.5 ?
C1 C2 C17 . . 110.19(15) ?
C1 C2 C18 . . 111.26(14) ?
C17 C2 C18 . . 110.46(12) ?
C1 C2 C3 . . 110.95(12) ?
C17 C2 C3 . . 109.65(14) ?
C18 C2 C3 . . 104.18(11) ?
C4 C3 C2 . . 107.34(10) ?
C4 C3 H19 . . 110.2 ?
C2 C3 H19 . . 110.2 ?
C4 C3 H20 . . 110.2 ?
C2 C3 H20 . . 110.2 ?
H19 C3 H20 . . 108.5 ?
C5 C4 C3 . . 111.93(10) ?
C5 C4 C16 . . 111.62(11) ?
C3 C4 C16 . . 103.71(10) ?
C5 C4 H22 . . 109.8 ?
C3 C4 H22 . . 109.8 ?
C16 C4 H22 . . 109.8 ?
O5 C5 C6 . . 109.08(10) ?
O5 C5 C4 . . 108.13(10) ?
C6 C5 C4 . . 112.61(10) ?
O5 C5 H21 . . 109.0 ?
C6 C5 H21 . . 109.0 ?
C4 C5 H21 . . 109.0 ?
O1 C6 C5 . . 107.49(9) ?
O1 C6 C12 . . 109.89(10) ?
C5 C6 C12 . . 113.24(10) ?
O1 C6 C9 . . 105.29(10) ?
C5 C6 C9 . . 114.20(11) ?
C12 C6 C9 . . 106.43(10) ?
O1 C7 C10 . . 105.25(12) ?
O1 C7 C8 . . 111.36(11) ?
C10 C7 C8 . . 111.92(11) ?
O1 C7 H23 . . 109.4 ?
C10 C7 H23 . . 109.4 ?
C8 C7 H23 . . 109.4 ?
O3 C8 O2 . . 124.99(13) ?
O3 C8 C7 . . 124.64(13) ?
O2 C8 C7 . . 110.35(12) ?
O4 C9 C10 . . 108.91(11) ?
O4 C9 C6 . . 106.33(10) ?
C10 C9 C6 . . 104.54(11) ?
O4 C9 H2 . . 112.2 ?
C10 C9 H2 . . 112.2 ?
C6 C9 H2 . . 112.2 ?
C9 C10 C7 . . 101.70(11) ?
C9 C10 H4 . . 111.4 ?
C7 C10 H4 . . 111.4 ?
C9 C10 H3 . . 111.4 ?
C7 C10 H3 . . 111.4 ?
H4 C10 H3 . . 109.3 ?
O6 C11 O4 . . 108.36(11) ?
O6 C11 C14 . . 113.60(11) ?
O4 C11 C14 . . 115.10(11) ?
O6 C11 C12 . . 120.43(12) ?
O4 C11 C12 . . 107.79(10) ?
C14 C11 C12 . . 90.94(11) ?
C6 C12 C11 . . 104.81(10) ?
C6 C12 C13 . . 117.68(11) ?
C11 C12 C13 . . 88.82(10) ?
C6 C12 H5 . . 114.1 ?
C11 C12 H5 . . 114.1 ?
C13 C12 H5 . . 114.1 ?
C15 C13 C16 . . 112.70(11) ?
C15 C13 C14 . . 110.40(11) ?
C16 C13 C14 . . 115.40(12) ?
C15 C13 C12 . . 109.68(12) ?
C16 C13 C12 . . 117.33(10) ?
C14 C13 C12 . . 89.12(10) ?
C11 C14 C13 . . 89.29(11) ?
C11 C14 H7 . . 113.8 ?
C13 C14 H7 . . 113.8 ?
C11 C14 H6 . . 113.8 ?
C13 C14 H6 . . 113.8 ?
H7 C14 H6 . . 111.0 ?
C13 C15 H9 . . 109.5 ?
C13 C15 H8 . . 109.5 ?
H9 C15 H8 . . 109.5 ?
C13 C15 H10 . . 109.5 ?
H9 C15 H10 . . 109.5 ?
H8 C15 H10 . . 109.5 ?
C13 C16 C18 . . 116.33(12) ?
C13 C16 C4 . . 115.59(11) ?
C18 C16 C4 . . 102.16(10) ?
C13 C16 H11 . . 107.4 ?
C18 C16 H11 . . 107.4 ?
C4 C16 H11 . . 107.4 ?
C2 C17 H15 . . 109.5 ?
C2 C17 H14 . . 109.5 ?
H15 C17 H14 . . 109.5 ?
C2 C17 H16 . . 109.5 ?
H15 C17 H16 . . 109.5 ?
H14 C17 H16 . . 109.5 ?
C16 C18 C2 . . 105.40(11) ?
C16 C18 H17 . . 110.7 ?
C2 C18 H17 . . 110.7 ?
C16 C18 H18 . . 110.7 ?
C2 C18 H18 . . 110.7 ?
H17 C18 H18 . . 108.8 ?

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
C1 C2 C3 C4 . . . . 121.16(15) ?
C17 C2 C3 C4 . . . . -116.90(13) ?
C18 C2 C3 C4 . . . . 1.33(15) ?
C2 C3 C4 C5 . . . . -97.10(12) ?
C2 C3 C4 C16 . . . . 23.36(15) ?
C3 C4 C5 O5 . . . . -64.31(12) ?
C16 C4 C5 O5 . . . . 179.95(9) ?
C3 C4 C5 C6 . . . . 175.10(11) ?
C16 C4 C5 C6 . . . . 59.35(13) ?
C7 O1 C6 C5 . . . . -129.32(10) ?
C7 O1 C6 C12 . . . . 107.05(11) ?
C7 O1 C6 C9 . . . . -7.20(12) ?
O5 C5 C6 O1 . . . . 64.46(12) ?
C4 C5 C6 O1 . . . . -175.49(9) ?
O5 C5 C6 C12 . . . . -173.98(10) ?
C4 C5 C6 C12 . . . . -53.93(14) ?
O5 C5 C6 C9 . . . . -51.94(14) ?
C4 C5 C6 C9 . . . . 68.11(13) ?
C6 O1 C7 C10 . . . . 27.32(12) ?
C6 O1 C7 C8 . . . . -94.15(13) ?
O1 C7 C8 O3 . . . . 5.9(2) ?
C10 C7 C8 O3 . . . . -111.60(15) ?
O1 C7 C8 O2 . . . . -172.59(12) ?
C10 C7 C8 O2 . . . . 69.90(15) ?
C11 O4 C9 C10 . . . . 135.74(12) ?
C11 O4 C9 C6 . . . . 23.61(14) ?
O1 C6 C9 O4 . . . . 99.25(11) ?
C5 C6 C9 O4 . . . . -143.08(11) ?
C12 C6 C9 O4 . . . . -17.38(14) ?
O1 C6 C9 C10 . . . . -15.88(13) ?
C5 C6 C9 C10 . . . . 101.78(12) ?
C12 C6 C9 C10 . . . . -132.52(11) ?
O4 C9 C10 C7 . . . . -82.50(12) ?
C6 C9 C10 C7 . . . . 30.81(12) ?
O1 C7 C10 C9 . . . . -35.85(12) ?
C8 C7 C10 C9 . . . . 85.25(12) ?
C9 O4 C11 O6 . . . . -152.35(11) ?
C9 O4 C11 C14 . . . . 79.23(13) ?
C9 O4 C11 C12 . . . . -20.52(14) ?
O1 C6 C12 C11 . . . . -108.32(12) ?
C5 C6 C12 C11 . . . . 131.47(11) ?
C9 C6 C12 C11 . . . . 5.19(14) ?
O1 C6 C12 C13 . . . . 155.09(10) ?
C5 C6 C12 C13 . . . . 34.89(16) ?
C9 C6 C12 C13 . . . . -91.39(13) ?
O6 C11 C12 C6 . . . . 133.59(13) ?
O4 C11 C12 C6 . . . . 8.69(14) ?
C14 C11 C12 C6 . . . . -108.11(11) ?
O6 C11 C12 C13 . . . . -108.04(14) ?
O4 C11 C12 C13 . . . . 127.05(11) ?
C14 C11 C12 C13 . . . . 10.26(10) ?
C6 C12 C13 C15 . . . . -152.55(11) ?
C11 C12 C13 C15 . . . . 101.31(11) ?
C6 C12 C13 C16 . . . . -22.30(17) ?
C11 C12 C13 C16 . . . . -128.43(12) ?
C6 C12 C13 C14 . . . . 96.06(12) ?
C11 C12 C13 C14 . . . . -10.08(9) ?
O6 C11 C14 C13 . . . . 113.78(12) ?
O4 C11 C14 C13 . . . . -120.47(11) ?
C12 C11 C14 C13 . . . . -10.28(9) ?
C15 C13 C14 C11 . . . . -100.58(12) ?
C16 C13 C14 C11 . . . . 130.20(11) ?
C12 C13 C14 C11 . . . . 10.14(9) ?
C15 C13 C16 C18 . . . . 36.47(16) ?
C14 C13 C16 C18 . . . . 164.55(11) ?
C12 C13 C16 C18 . . . . -92.37(14) ?
C15 C13 C16 C4 . . . . 156.30(12) ?
C14 C13 C16 C4 . . . . -75.61(15) ?
C12 C13 C16 C4 . . . . 27.47(17) ?
C5 C4 C16 C13 . . . . -45.58(15) ?
C3 C4 C16 C13 . . . . -166.26(11) ?
C5 C4 C16 C18 . . . . 81.74(13) ?
C3 C4 C16 C18 . . . . -38.94(14) ?
C13 C16 C18 C2 . . . . 167.45(12) ?
C4 C16 C18 C2 . . . . 40.61(14) ?
C1 C2 C18 C16 . . . . -145.61(13) ?
C17 C2 C18 C16 . . . . 91.68(15) ?
C3 C2 C18 C16 . . . . -26.00(15) ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
O2 H24 O5 3_564 0.84 1.80 2.6279(15) 167.2 ?
O5 H25 O4 2_654 0.84 1.89 2.7239(14) 169.7 ?
O6 H26 O3 . 0.84 2.16 2.9060(16) 147.1 ?
C14 H6 O3 1_556 0.99 2.42 3.3351(18) 154.1 ?




_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: methanol/H2O'
_chemical_compound_source        
'Fungal Co-culture of Epicoccum sp. and Armillaria sp.'
