# Supplementary Information (SI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2025

####################################################################### 
# 
# 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_sfyy5042
_database_code_depnum_ccdc_archive 'CCDC 2424327'
loop_
_audit_author_name
_audit_author_address
Lixiaonian
;KIB,CAS
China
;
_audit_update_record             
;
2025-02-17 deposited with the CCDC.	2025-03-26 downloaded from the CCDC.
;
_chemical_name_systematic        'glutinosasin E'
_chemical_name_common            ?
_chemical_formula_moiety         'C20 H30 O3'
_chemical_formula_sum            'C20 H30 O3'
_chemical_formula_iupac          ?
_chemical_formula_weight         318.44
_chemical_absolute_configuration rm

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'C 1 2 1'
_space_group_name_Hall           'C 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'

_cell_length_a                   13.8295(5)
_cell_length_b                   6.1051(2)
_cell_length_c                   20.1870(8)
_cell_angle_alpha                90
_cell_angle_beta                 97.850(2)
_cell_angle_gamma                90
_cell_volume                     1688.43(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9898
_cell_measurement_theta_min      4.4219
_cell_measurement_theta_max      68.3137
_cell_measurement_temperature    150.(2)

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.050
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             696

_exptl_absorpt_coefficient_mu    0.647
_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  0.68
_exptl_absorpt_correction_T_max  0.97

_exptl_special_details           
;
;

_diffrn_ambient_temperature      150.(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 QUEST PHOTON II'
_diffrn_measurement_method       ?

_diffrn_detector_area_resol_mean 7.3910

_diffrn_reflns_number            14695
_diffrn_reflns_av_R_equivalents  0.0683
_diffrn_reflns_av_unetI/netI     0.0484
_diffrn_reflns_theta_min         2.21
_diffrn_reflns_theta_max         68.31
_diffrn_reflns_theta_full        68.31
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24

_refine_special_details          
;
;

_reflns_number_total             3030
_reflns_number_gt                2843
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0345
_refine_ls_wR_factor_gt          0.0831
_refine_ls_wR_factor_ref         0.0855
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_restrained_S_all      1.060
_refine_ls_number_reflns         3030
_refine_ls_number_parameters     213
_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)+(0.0385P)²+0.5047P] 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         0.139
_refine_diff_density_min         -0.203
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;

Flack x determined using 1154 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.21(13)

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 vV6.2.15'
_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
C C1 0.68736(18) 0.1768(5) 0.91868(12) 0.0315(6) Uani d . . . 1 . .
H H18 0.68944 0.177891 0.967892 0.038 Uiso calc U . R 1 . .
H H1 0.676435 0.023751 0.903279 0.038 Uiso calc U . R 1 . .
O O1 0.56806(12) 0.2309(3) 0.57784(8) 0.0272(4) Uani d . . . 1 . .
C C2 0.78573(17) 0.2537(5) 0.90150(12) 0.0314(5) Uani d . . . 1 . .
H H5 0.837092 0.14985 0.920572 0.038 Uiso calc U . R 1 . .
H H6 0.801239 0.398968 0.922024 0.038 Uiso calc U . R 1 . .
O O2 0.52085(11) 0.8236(3) 0.63086(8) 0.0244(4) Uani d . . . 1 . .
H H29 0.528391 0.94597 0.613234 0.037 Uiso calc U . R 1 . .
C C3 0.78600(16) 0.2698(4) 0.82604(11) 0.0248(5) Uani d . . . 1 . .
H H3 0.776374 0.121639 0.806323 0.03 Uiso calc U . R 1 . .
H H4 0.850692 0.32315 0.81734 0.03 Uiso calc U . R 1 . .
O O3 0.87695(11) 0.4017(3) 0.71481(8) 0.0295(4) Uani d . . . 1 . .
H H30 0.920481 0.386924 0.689924 0.044 Uiso calc U . R 1 . .
C C4 0.70616(15) 0.4242(4) 0.79089(10) 0.0202(4) Uani d . . . 1 . .
C C5 0.69821(15) 0.3897(4) 0.71273(10) 0.0193(4) Uani d . . . 1 . .
H H26 0.689688 0.228025 0.706567 0.023 Uiso calc U . R 1 . .
C C6 0.60366(15) 0.4915(4) 0.67093(10) 0.0194(4) Uani d . . . 1 . .
C C7 0.61420(15) 0.7390(4) 0.65948(11) 0.0203(4) Uani d . . . 1 . .
H H24 0.639774 0.816757 0.701876 0.024 Uiso calc U . R 1 . .
C C8 0.68718(15) 0.7470(4) 0.60894(11) 0.0222(5) Uani d . . . 1 . .
H H2 0.689182 0.894261 0.587508 0.027 Uiso calc U . R 1 . .
C C9 0.64749(16) 0.5733(4) 0.55964(11) 0.0234(5) Uani d . . . 1 . .
C C10 0.60082(15) 0.4066(4) 0.59904(11) 0.0214(4) Uani d . . . 1 . .
C C11 0.60102(17) 0.3172(4) 0.88754(11) 0.0265(5) Uani d . . . 1 . .
C C12 0.59695(19) 0.5333(5) 0.92557(12) 0.0332(6) Uani d . . . 1 . .
H H9 0.578567 0.504155 0.969925 0.05 Uiso calc U . R 1 . .
H H8 0.548474 0.630347 0.900693 0.05 Uiso calc U . R 1 . .
H H7 0.6612 0.603787 0.930414 0.05 Uiso calc U . R 1 . .
C C13 0.50730(19) 0.1884(5) 0.89580(12) 0.0352(6) Uani d . . . 1 . .
H H11 0.500757 0.063641 0.86498 0.053 Uiso calc U . R 1 . .
H H12 0.45049 0.284729 0.885775 0.053 Uiso calc U . R 1 . .
H H10 0.511183 0.135225 0.941889 0.053 Uiso calc U . R 1 . .
C C14 0.60649(16) 0.3449(4) 0.81139(10) 0.0215(5) Uani d . . . 1 . .
H H17 0.598356 0.192867 0.793026 0.026 Uiso calc U . R 1 . .
C C15 0.52022(15) 0.4715(4) 0.77430(11) 0.0228(5) Uani d . . . 1 . .
H H16 0.45922 0.427402 0.791242 0.027 Uiso calc U . R 1 . .
H H13 0.529833 0.630553 0.782276 0.027 Uiso calc U . R 1 . .
C C16 0.51201(15) 0.4241(4) 0.69979(11) 0.0217(4) Uani d . . . 1 . .
H H14 0.45524 0.504193 0.676189 0.026 Uiso calc U . R 1 . .
H H15 0.50048 0.265528 0.692139 0.026 Uiso calc U . R 1 . .
C C17 0.73347(17) 0.6598(4) 0.81139(11) 0.0254(5) Uani d . . . 1 . .
H H21 0.757118 0.664804 0.859396 0.038 Uiso calc U . R 1 . .
H H19 0.675896 0.754004 0.801612 0.038 Uiso calc U . R 1 . .
H H20 0.784876 0.711649 0.786303 0.038 Uiso calc U . R 1 . .
C C20 0.64545(18) 0.5642(5) 0.49374(12) 0.0335(6) Uani d . . . 1 . .
H H28 0.612943 0.446818 0.46908 0.04 Uiso calc U . R 1 . .
H H27 0.676491 0.675181 0.471249 0.04 Uiso calc U . R 1 . .
C C18 0.78642(16) 0.4468(4) 0.67519(11) 0.0228(5) Uani d . . . 1 . .
H H22 0.782058 0.345559 0.63595 0.027 Uiso calc U . R 1 . .
C C19 0.78688(15) 0.6805(4) 0.64674(11) 0.0239(5) Uani d . . . 1 . .
H H25 0.805372 0.784745 0.683863 0.029 Uiso calc U . R 1 . .
H H23 0.836712 0.690036 0.616 0.029 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
C1 C2 . 1.523(3) ?
C1 C11 . 1.533(3) ?
C1 H18 . 0.99 ?
C1 H1 . 0.99 ?
O1 C10 . 1.219(3) ?
C2 C3 . 1.527(3) ?
C2 H5 . 0.99 ?
C2 H6 . 0.99 ?
O2 C7 . 1.436(3) ?
O2 H29 . 0.84 ?
C3 C4 . 1.548(3) ?
C3 H3 . 0.99 ?
C3 H4 . 0.99 ?
O3 C18 . 1.417(3) ?
O3 H30 . 0.84 ?
C4 C17 . 1.530(3) ?
C4 C14 . 1.569(3) ?
C4 C5 . 1.581(3) ?
C5 C18 . 1.561(3) ?
C5 C6 . 1.583(3) ?
C5 H26 . 1.0 ?
C6 C16 . 1.522(3) ?
C6 C10 . 1.537(3) ?
C6 C7 . 1.539(3) ?
C7 C8 . 1.531(3) ?
C7 H24 . 1.0 ?
C8 C9 . 1.506(3) ?
C8 C19 . 1.536(3) ?
C8 H2 . 1.0 ?
C9 C20 . 1.328(3) ?
C9 C10 . 1.491(3) ?
C11 C12 . 1.531(4) ?
C11 C13 . 1.544(3) ?
C11 C14 . 1.558(3) ?
C12 H9 . 0.98 ?
C12 H8 . 0.98 ?
C12 H7 . 0.98 ?
C13 H11 . 0.98 ?
C13 H12 . 0.98 ?
C13 H10 . 0.98 ?
C14 C15 . 1.529(3) ?
C14 H17 . 1.0 ?
C15 C16 . 1.521(3) ?
C15 H16 . 0.99 ?
C15 H13 . 0.99 ?
C16 H14 . 0.99 ?
C16 H15 . 0.99 ?
C17 H21 . 0.98 ?
C17 H19 . 0.98 ?
C17 H20 . 0.98 ?
C20 H28 . 0.95 ?
C20 H27 . 0.95 ?
C18 C19 . 1.538(3) ?
C18 H22 . 1.0 ?
C19 H25 . 0.99 ?
C19 H23 . 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
C2 C1 C11 . . 113.8(2) ?
C2 C1 H18 . . 108.8 ?
C11 C1 H18 . . 108.8 ?
C2 C1 H1 . . 108.8 ?
C11 C1 H1 . . 108.8 ?
H18 C1 H1 . . 107.7 ?
C1 C2 C3 . . 111.78(19) ?
C1 C2 H5 . . 109.3 ?
C3 C2 H5 . . 109.3 ?
C1 C2 H6 . . 109.3 ?
C3 C2 H6 . . 109.3 ?
H5 C2 H6 . . 107.9 ?
C7 O2 H29 . . 109.5 ?
C2 C3 C4 . . 113.43(19) ?
C2 C3 H3 . . 108.9 ?
C4 C3 H3 . . 108.9 ?
C2 C3 H4 . . 108.9 ?
C4 C3 H4 . . 108.9 ?
H3 C3 H4 . . 107.7 ?
C18 O3 H30 . . 109.5 ?
C17 C4 C3 . . 108.31(17) ?
C17 C4 C14 . . 114.34(18) ?
C3 C4 C14 . . 106.76(18) ?
C17 C4 C5 . . 112.10(18) ?
C3 C4 C5 . . 108.93(17) ?
C14 C4 C5 . . 106.17(16) ?
C18 C5 C4 . . 120.16(17) ?
C18 C5 C6 . . 107.29(17) ?
C4 C5 C6 . . 114.80(16) ?
C18 C5 H26 . . 104.3 ?
C4 C5 H26 . . 104.3 ?
C6 C5 H26 . . 104.3 ?
C16 C6 C10 . . 110.80(17) ?
C16 C6 C7 . . 115.08(18) ?
C10 C6 C7 . . 100.38(17) ?
C16 C6 C5 . . 111.12(17) ?
C10 C6 C5 . . 106.48(17) ?
C7 C6 C5 . . 112.16(17) ?
O2 C7 C8 . . 111.02(17) ?
O2 C7 C6 . . 108.37(17) ?
C8 C7 C6 . . 102.46(18) ?
O2 C7 H24 . . 111.5 ?
C8 C7 H24 . . 111.5 ?
C6 C7 H24 . . 111.5 ?
C9 C8 C7 . . 101.78(17) ?
C9 C8 C19 . . 111.32(19) ?
C7 C8 C19 . . 106.82(17) ?
C9 C8 H2 . . 112.1 ?
C7 C8 H2 . . 112.1 ?
C19 C8 H2 . . 112.1 ?
C20 C9 C10 . . 123.7(2) ?
C20 C9 C8 . . 130.3(2) ?
C10 C9 C8 . . 105.86(18) ?
O1 C10 C9 . . 125.5(2) ?
O1 C10 C6 . . 126.1(2) ?
C9 C10 C6 . . 108.45(19) ?
C12 C11 C1 . . 110.9(2) ?
C12 C11 C13 . . 107.2(2) ?
C1 C11 C13 . . 106.8(2) ?
C12 C11 C14 . . 114.3(2) ?
C1 C11 C14 . . 108.96(18) ?
C13 C11 C14 . . 108.43(18) ?
C11 C12 H9 . . 109.5 ?
C11 C12 H8 . . 109.5 ?
H9 C12 H8 . . 109.5 ?
C11 C12 H7 . . 109.5 ?
H9 C12 H7 . . 109.5 ?
H8 C12 H7 . . 109.5 ?
C11 C13 H11 . . 109.5 ?
C11 C13 H12 . . 109.5 ?
H11 C13 H12 . . 109.5 ?
C11 C13 H10 . . 109.5 ?
H11 C13 H10 . . 109.5 ?
H12 C13 H10 . . 109.5 ?
C15 C14 C11 . . 113.46(18) ?
C15 C14 C4 . . 111.68(17) ?
C11 C14 C4 . . 117.16(17) ?
C15 C14 H17 . . 104.3 ?
C11 C14 H17 . . 104.3 ?
C4 C14 H17 . . 104.3 ?
C16 C15 C14 . . 109.63(18) ?
C16 C15 H16 . . 109.7 ?
C14 C15 H16 . . 109.7 ?
C16 C15 H13 . . 109.7 ?
C14 C15 H13 . . 109.7 ?
H16 C15 H13 . . 108.2 ?
C15 C16 C6 . . 111.93(17) ?
C15 C16 H14 . . 109.2 ?
C6 C16 H14 . . 109.2 ?
C15 C16 H15 . . 109.2 ?
C6 C16 H15 . . 109.2 ?
H14 C16 H15 . . 107.9 ?
C4 C17 H21 . . 109.5 ?
C4 C17 H19 . . 109.5 ?
H21 C17 H19 . . 109.5 ?
C4 C17 H20 . . 109.5 ?
H21 C17 H20 . . 109.5 ?
H19 C17 H20 . . 109.5 ?
C9 C20 H28 . . 120.0 ?
C9 C20 H27 . . 120.0 ?
H28 C20 H27 . . 120.0 ?
O3 C18 C19 . . 110.02(18) ?
O3 C18 C5 . . 111.81(17) ?
C19 C18 C5 . . 115.57(18) ?
O3 C18 H22 . . 106.3 ?
C19 C18 H22 . . 106.3 ?
C5 C18 H22 . . 106.3 ?
C8 C19 C18 . . 112.41(18) ?
C8 C19 H25 . . 109.1 ?
C18 C19 H25 . . 109.1 ?
C8 C19 H23 . . 109.1 ?
C18 C19 H23 . . 109.1 ?
H25 C19 H23 . . 107.9 ?

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
C11 C1 C2 C3 . . . . -55.0(3) ?
C1 C2 C3 C4 . . . . 57.4(3) ?
C2 C3 C4 C17 . . . . 69.9(2) ?
C2 C3 C4 C14 . . . . -53.7(2) ?
C2 C3 C4 C5 . . . . -168.0(2) ?
C17 C4 C5 C18 . . . . 56.0(3) ?
C3 C4 C5 C18 . . . . -63.8(2) ?
C14 C4 C5 C18 . . . . -178.48(18) ?
C17 C4 C5 C6 . . . . -74.3(2) ?
C3 C4 C5 C6 . . . . 165.83(18) ?
C14 C4 C5 C6 . . . . 51.2(2) ?
C18 C5 C6 C16 . . . . 174.09(17) ?
C4 C5 C6 C16 . . . . -49.6(2) ?
C18 C5 C6 C10 . . . . 53.3(2) ?
C4 C5 C6 C10 . . . . -170.32(18) ?
C18 C5 C6 C7 . . . . -55.5(2) ?
C4 C5 C6 C7 . . . . 80.8(2) ?
C16 C6 C7 O2 . . . . -42.7(2) ?
C10 C6 C7 O2 . . . . 76.30(19) ?
C5 C6 C7 O2 . . . . -170.99(16) ?
C16 C6 C7 C8 . . . . -160.09(17) ?
C10 C6 C7 C8 . . . . -41.12(19) ?
C5 C6 C7 C8 . . . . 71.6(2) ?
O2 C7 C8 C9 . . . . -70.0(2) ?
C6 C7 C8 C9 . . . . 45.5(2) ?
O2 C7 C8 C19 . . . . 173.18(18) ?
C6 C7 C8 C19 . . . . -71.3(2) ?
C7 C8 C9 C20 . . . . 144.6(3) ?
C19 C8 C9 C20 . . . . -101.9(3) ?
C7 C8 C9 C10 . . . . -31.2(2) ?
C19 C8 C9 C10 . . . . 82.3(2) ?
C20 C9 C10 O1 . . . . 10.8(4) ?
C8 C9 C10 O1 . . . . -173.0(2) ?
C20 C9 C10 C6 . . . . -170.7(2) ?
C8 C9 C10 C6 . . . . 5.5(2) ?
C16 C6 C10 O1 . . . . -37.3(3) ?
C7 C6 C10 O1 . . . . -159.3(2) ?
C5 C6 C10 O1 . . . . 83.7(2) ?
C16 C6 C10 C9 . . . . 144.25(19) ?
C7 C6 C10 C9 . . . . 22.2(2) ?
C5 C6 C10 C9 . . . . -94.8(2) ?
C2 C1 C11 C12 . . . . -76.5(3) ?
C2 C1 C11 C13 . . . . 167.1(2) ?
C2 C1 C11 C14 . . . . 50.1(3) ?
C12 C11 C14 C15 . . . . -58.8(3) ?
C1 C11 C14 C15 . . . . 176.6(2) ?
C13 C11 C14 C15 . . . . 60.7(3) ?
C12 C11 C14 C4 . . . . 73.7(3) ?
C1 C11 C14 C4 . . . . -50.9(3) ?
C13 C11 C14 C4 . . . . -166.8(2) ?
C17 C4 C14 C15 . . . . 65.7(2) ?
C3 C4 C14 C15 . . . . -174.52(17) ?
C5 C4 C14 C15 . . . . -58.4(2) ?
C17 C4 C14 C11 . . . . -67.5(3) ?
C3 C4 C14 C11 . . . . 52.2(3) ?
C5 C4 C14 C11 . . . . 168.33(19) ?
C11 C14 C15 C16 . . . . -160.42(19) ?
C4 C14 C15 C16 . . . . 64.5(2) ?
C14 C15 C16 C6 . . . . -60.1(2) ?
C10 C6 C16 C15 . . . . 170.26(18) ?
C7 C6 C16 C15 . . . . -76.8(2) ?
C5 C6 C16 C15 . . . . 52.1(2) ?
C4 C5 C18 O3 . . . . 34.7(3) ?
C6 C5 C18 O3 . . . . 168.29(17) ?
C4 C5 C18 C19 . . . . -92.1(2) ?
C6 C5 C18 C19 . . . . 41.4(2) ?
C9 C8 C19 C18 . . . . -49.0(2) ?
C7 C8 C19 C18 . . . . 61.3(2) ?
O3 C18 C19 C8 . . . . -174.43(18) ?
C5 C18 C19 C8 . . . . -46.6(2) ?

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 H29 O1 1_565 0.84 1.99 2.819(2) 171.0 ?
O3 H30 O2 3_545 0.84 1.99 2.825(2) 174.9 ?
C8 H2 O1 1_565 1.00 2.64 3.399(3) 132.6 ?



