# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_lzca72
_database_code_depnum_ccdc_archive 'CCDC 2311963'
loop_
_audit_author_name
_audit_author_address
'Tao Feng'
;South Central Minzu University
China
;
_audit_update_record             
;
2023-12-04 deposited with the CCDC.	2024-03-28 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C20 H22 O7'
_chemical_formula_sum            'C20 H22 O7'
_chemical_formula_iupac          ?
_chemical_formula_weight         374.37
_chemical_absolute_configuration ad

_chemical_melting_point          ?

_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'

_cell_length_a                   9.8989(3)
_cell_length_b                   11.3680(3)
_cell_length_c                   15.8912(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1788.25(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9908
_cell_measurement_theta_min      4.7829
_cell_measurement_theta_max      69.9806
_cell_measurement_temperature    150.(2)

_exptl_crystal_description       block
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_size_max          0.360
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.140
_exptl_crystal_density_diffrn    1.391
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             792

_exptl_absorpt_coefficient_mu    0.881
_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  0.72
_exptl_absorpt_correction_T_max  0.89

_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            16042
_diffrn_reflns_av_R_equivalents  0.0552
_diffrn_reflns_av_unetI/netI     0.0386
_diffrn_reflns_theta_min         4.78
_diffrn_reflns_theta_max         70.04
_diffrn_reflns_theta_full        70.04
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19

_refine_special_details          
;
;

_reflns_number_total             3367
_reflns_number_gt                3257
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0310
_refine_ls_R_factor_gt           0.0295
_refine_ls_wR_factor_gt          0.0723
_refine_ls_wR_factor_ref         0.0731
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.057
_refine_ls_number_reflns         3367
_refine_ls_number_parameters     247
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0332P)²+0.2966P] 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         0.183
_refine_diff_density_min         -0.184
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;

Flack x determined using 1356 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.08(7)

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
O O1 0.89052(14) 0.22848(13) 0.69331(10) 0.0291(3) Uani d . . . 1 . .
O O2 0.01679(14) 0.67812(15) 0.40966(10) 0.0349(4) Uani d . . . 1 . .
O O3 0.93729(17) 0.41740(15) 0.71661(13) 0.0458(5) Uani d . . . 1 . .
O O4 0.50622(12) 0.34439(12) 0.50572(8) 0.0222(3) Uani d . . . 1 . .
O O5 0.59102(15) 0.16359(14) 0.51875(12) 0.0389(4) Uani d . . . 1 . .
O O6 0.45434(14) 0.41855(13) 0.66562(8) 0.0252(3) Uani d . . . 1 . .
O O7 0.14336(12) 0.65886(13) 0.52518(9) 0.0264(3) Uani d . . . 1 . .
C C1 1.0141(2) 0.1983(2) 0.73677(16) 0.0356(5) Uani d . . . 1 . .
H H2 1.09131 0.231732 0.70646 0.053 Uiso calc U . R 1 . .
H H3 1.023234 0.112575 0.739284 0.053 Uiso calc U . R 1 . .
H H1 1.01148 0.230292 0.794025 0.053 Uiso calc U . R 1 . .
C C2 0.86492(19) 0.34340(18) 0.68815(12) 0.0240(4) Uani d . . . 1 . .
C C3 0.73061(18) 0.36545(18) 0.64561(12) 0.0221(4) Uani d . . . 1 . .
H H4 0.659333 0.316998 0.673672 0.027 Uiso calc U . R 1 . .
C C4 0.73239(18) 0.33675(17) 0.54896(12) 0.0221(4) Uani d . . . 1 . .
H H5 0.818256 0.298344 0.530405 0.027 Uiso calc U . R 1 . .
C C5 0.70957(17) 0.45801(17) 0.50759(11) 0.0208(4) Uani d . . . 1 . .
C C6 0.55286(17) 0.46450(16) 0.51983(11) 0.0189(4) Uani d . . . 1 . .
C C7 0.47930(17) 0.54334(17) 0.45820(11) 0.0199(4) Uani d . . . 1 . .
H H16 0.497582 0.515434 0.400299 0.024 Uiso calc U . R 1 . .
H H17 0.515658 0.624176 0.463122 0.024 Uiso calc U . R 1 . .
C C8 0.32695(17) 0.54688(17) 0.47208(11) 0.0192(4) Uani d . . . 1 . .
H H15 0.295143 0.465363 0.484997 0.023 Uiso calc U . R 1 . .
C C9 0.24273(17) 0.59506(16) 0.40170(12) 0.0215(4) Uani d . . . 1 . .
C C10 0.12092(18) 0.64761(17) 0.44157(13) 0.0245(4) Uani d . . . 1 . .
C C11 0.60777(19) 0.26772(18) 0.52394(13) 0.0248(4) Uani d . . . 1 . .
C C12 0.28479(18) 0.62739(17) 0.54398(12) 0.0226(4) Uani d . . . 1 . .
H H6 0.341907 0.699941 0.543477 0.027 Uiso calc U . R 1 . .
C C13 0.2870(2) 0.5735(2) 0.63043(12) 0.0310(5) Uani d . . . 1 . .
H H7 0.232988 0.500267 0.629137 0.037 Uiso calc U . R 1 . .
H H8 0.242069 0.628367 0.669894 0.037 Uiso calc U . R 1 . .
C C14 0.42716(19) 0.54442(18) 0.66513(11) 0.0235(4) Uani d . . . 1 . .
C C15 0.4589(2) 0.6085(2) 0.74615(12) 0.0297(5) Uani d . . . 1 . .
H H9 0.379573 0.606962 0.783004 0.045 Uiso calc U . R 1 . .
H H10 0.482864 0.690307 0.733537 0.045 Uiso calc U . R 1 . .
H H11 0.534918 0.569883 0.774391 0.045 Uiso calc U . R 1 . .
C C16 0.54127(18) 0.49251(16) 0.61625(11) 0.0197(4) Uani d . . . 1 . .
C C17 0.68808(19) 0.49504(17) 0.64692(12) 0.0212(4) Uani d . . . 1 . .
H H12 0.703222 0.536778 0.701507 0.025 Uiso calc U . R 1 . .
C C18 0.76290(18) 0.54658(17) 0.57143(12) 0.0227(4) Uani d . . . 1 . .
H H14 0.734615 0.628166 0.558602 0.027 Uiso calc U . R 1 . .
H H13 0.862284 0.542755 0.577859 0.027 Uiso calc U . R 1 . .
C C19 0.7624(2) 0.4673(2) 0.41831(13) 0.0311(5) Uani d . . . 1 . .
H H19 0.742593 0.545807 0.395975 0.047 Uiso calc U . R 1 . .
H H18 0.718576 0.407766 0.383079 0.047 Uiso calc U . R 1 . .
H H20 0.860328 0.454446 0.418146 0.047 Uiso calc U . R 1 . .
C C20 0.2628(2) 0.59909(19) 0.31959(13) 0.0287(4) Uani d . . . 1 . .
H H21 0.198478 0.63636 0.284158 0.034 Uiso calc U . R 1 . .
H H22 0.341661 0.564711 0.295966 0.034 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 C2 . 1.333(3) ?
O1 C1 . 1.446(2) ?
O2 C10 . 1.200(2) ?
O3 C2 . 1.194(3) ?
O4 C11 . 1.362(2) ?
O4 C6 . 1.459(2) ?
O5 C11 . 1.198(3) ?
O6 C16 . 1.436(2) ?
O6 C14 . 1.456(3) ?
O7 C10 . 1.353(2) ?
O7 C12 . 1.476(2) ?
C1 H2 . 0.98 ?
C1 H3 . 0.98 ?
C1 H1 . 0.98 ?
C2 C3 . 1.512(2) ?
C3 C17 . 1.532(3) ?
C3 C4 . 1.570(3) ?
C3 H4 . 1.0 ?
C4 C11 . 1.515(3) ?
C4 C5 . 1.544(3) ?
C4 H5 . 1.0 ?
C5 C19 . 1.516(3) ?
C5 C18 . 1.524(3) ?
C5 C6 . 1.565(2) ?
C6 C7 . 1.514(2) ?
C6 C16 . 1.569(2) ?
C7 C8 . 1.525(2) ?
C7 H16 . 0.99 ?
C7 H17 . 0.99 ?
C8 C9 . 1.499(2) ?
C8 C12 . 1.522(3) ?
C8 H15 . 1.0 ?
C9 C20 . 1.321(3) ?
C9 C10 . 1.487(3) ?
C12 C13 . 1.504(3) ?
C12 H6 . 1.0 ?
C13 C14 . 1.529(3) ?
C13 H7 . 0.99 ?
C13 H8 . 0.99 ?
C14 C16 . 1.492(3) ?
C14 C15 . 1.513(3) ?
C15 H9 . 0.98 ?
C15 H10 . 0.98 ?
C15 H11 . 0.98 ?
C16 C17 . 1.533(3) ?
C17 C18 . 1.527(3) ?
C17 H12 . 1.0 ?
C18 H14 . 0.99 ?
C18 H13 . 0.99 ?
C19 H19 . 0.98 ?
C19 H18 . 0.98 ?
C19 H20 . 0.98 ?
C20 H21 . 0.95 ?
C20 H22 . 0.95 ?

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 O1 C1 . . 114.98(16) ?
C11 O4 C6 . . 109.44(13) ?
C16 O6 C14 . . 62.13(11) ?
C10 O7 C12 . . 109.38(14) ?
O1 C1 H2 . . 109.5 ?
O1 C1 H3 . . 109.5 ?
H2 C1 H3 . . 109.5 ?
O1 C1 H1 . . 109.5 ?
H2 C1 H1 . . 109.5 ?
H3 C1 H1 . . 109.5 ?
O3 C2 O1 . . 123.58(17) ?
O3 C2 C3 . . 125.45(19) ?
O1 C2 C3 . . 110.91(16) ?
C2 C3 C17 . . 113.25(16) ?
C2 C3 C4 . . 113.14(15) ?
C17 C3 C4 . . 102.48(15) ?
C2 C3 H4 . . 109.2 ?
C17 C3 H4 . . 109.2 ?
C4 C3 H4 . . 109.2 ?
C11 C4 C5 . . 103.39(14) ?
C11 C4 C3 . . 110.80(16) ?
C5 C4 C3 . . 103.26(15) ?
C11 C4 H5 . . 112.9 ?
C5 C4 H5 . . 112.9 ?
C3 C4 H5 . . 112.9 ?
C19 C5 C18 . . 117.21(16) ?
C19 C5 C4 . . 114.23(16) ?
C18 C5 C4 . . 104.82(14) ?
C19 C5 C6 . . 117.08(15) ?
C18 C5 C6 . . 103.27(14) ?
C4 C5 C6 . . 97.71(14) ?
O4 C6 C7 . . 107.61(14) ?
O4 C6 C5 . . 104.50(14) ?
C7 C6 C5 . . 115.10(15) ?
O4 C6 C16 . . 108.47(14) ?
C7 C6 C16 . . 118.45(15) ?
C5 C6 C16 . . 101.73(14) ?
C6 C7 C8 . . 113.44(15) ?
C6 C7 H16 . . 108.9 ?
C8 C7 H16 . . 108.9 ?
C6 C7 H17 . . 108.9 ?
C8 C7 H17 . . 108.9 ?
H16 C7 H17 . . 107.7 ?
C9 C8 C12 . . 100.83(14) ?
C9 C8 C7 . . 116.88(15) ?
C12 C8 C7 . . 113.30(15) ?
C9 C8 H15 . . 108.5 ?
C12 C8 H15 . . 108.5 ?
C7 C8 H15 . . 108.5 ?
C20 C9 C10 . . 121.94(17) ?
C20 C9 C8 . . 131.77(17) ?
C10 C9 C8 . . 106.26(16) ?
O2 C10 O7 . . 121.92(18) ?
O2 C10 C9 . . 129.23(18) ?
O7 C10 C9 . . 108.85(16) ?
O5 C11 O4 . . 121.04(17) ?
O5 C11 C4 . . 129.97(18) ?
O4 C11 C4 . . 108.99(16) ?
O7 C12 C13 . . 107.32(15) ?
O7 C12 C8 . . 104.71(14) ?
C13 C12 C8 . . 115.90(17) ?
O7 C12 H6 . . 109.6 ?
C13 C12 H6 . . 109.6 ?
C8 C12 H6 . . 109.6 ?
C12 C13 C14 . . 115.52(16) ?
C12 C13 H7 . . 108.4 ?
C14 C13 H7 . . 108.4 ?
C12 C13 H8 . . 108.4 ?
C14 C13 H8 . . 108.4 ?
H7 C13 H8 . . 107.5 ?
O6 C14 C16 . . 58.29(11) ?
O6 C14 C15 . . 115.51(16) ?
C16 C14 C15 . . 118.44(17) ?
O6 C14 C13 . . 112.47(17) ?
C16 C14 C13 . . 125.77(16) ?
C15 C14 C13 . . 113.04(17) ?
C14 C15 H9 . . 109.5 ?
C14 C15 H10 . . 109.5 ?
H9 C15 H10 . . 109.5 ?
C14 C15 H11 . . 109.5 ?
H9 C15 H11 . . 109.5 ?
H10 C15 H11 . . 109.5 ?
O6 C16 C14 . . 59.58(12) ?
O6 C16 C17 . . 113.91(15) ?
C14 C16 C17 . . 122.99(16) ?
O6 C16 C6 . . 117.28(15) ?
C14 C16 C6 . . 130.07(15) ?
C17 C16 C6 . . 104.18(14) ?
C18 C17 C3 . . 103.00(15) ?
C18 C17 C16 . . 102.55(14) ?
C3 C17 C16 . . 103.77(15) ?
C18 C17 H12 . . 115.3 ?
C3 C17 H12 . . 115.3 ?
C16 C17 H12 . . 115.3 ?
C5 C18 C17 . . 95.82(14) ?
C5 C18 H14 . . 112.6 ?
C17 C18 H14 . . 112.6 ?
C5 C18 H13 . . 112.6 ?
C17 C18 H13 . . 112.6 ?
H14 C18 H13 . . 110.1 ?
C5 C19 H19 . . 109.5 ?
C5 C19 H18 . . 109.5 ?
H19 C19 H18 . . 109.5 ?
C5 C19 H20 . . 109.5 ?
H19 C19 H20 . . 109.5 ?
H18 C19 H20 . . 109.5 ?
C9 C20 H21 . . 120.0 ?
C9 C20 H22 . . 120.0 ?
H21 C20 H22 . . 120.0 ?

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 O1 C2 O3 . . . . 0.2(3) ?
C1 O1 C2 C3 . . . . -177.17(17) ?
O3 C2 C3 C17 . . . . -3.9(3) ?
O1 C2 C3 C17 . . . . 173.37(16) ?
O3 C2 C3 C4 . . . . 112.1(2) ?
O1 C2 C3 C4 . . . . -70.6(2) ?
C2 C3 C4 C11 . . . . 134.98(17) ?
C17 C3 C4 C11 . . . . -102.73(17) ?
C2 C3 C4 C5 . . . . -114.90(17) ?
C17 C3 C4 C5 . . . . 7.40(17) ?
C11 C4 C5 C19 . . . . -88.50(18) ?
C3 C4 C5 C19 . . . . 155.97(15) ?
C11 C4 C5 C18 . . . . 141.87(15) ?
C3 C4 C5 C18 . . . . 26.34(17) ?
C11 C4 C5 C6 . . . . 35.89(16) ?
C3 C4 C5 C6 . . . . -79.65(15) ?
C11 O4 C6 C7 . . . . 149.05(15) ?
C11 O4 C6 C5 . . . . 26.25(18) ?
C11 O4 C6 C16 . . . . -81.68(17) ?
C19 C5 C6 O4 . . . . 84.5(2) ?
C18 C5 C6 O4 . . . . -145.13(14) ?
C4 C5 C6 O4 . . . . -37.84(16) ?
C19 C5 C6 C7 . . . . -33.3(2) ?
C18 C5 C6 C7 . . . . 97.08(18) ?
C4 C5 C6 C7 . . . . -155.63(15) ?
C19 C5 C6 C16 . . . . -162.70(17) ?
C18 C5 C6 C16 . . . . -32.30(17) ?
C4 C5 C6 C16 . . . . 74.99(15) ?
O4 C6 C7 C8 . . . . 63.78(19) ?
C5 C6 C7 C8 . . . . 179.80(15) ?
C16 C6 C7 C8 . . . . -59.6(2) ?
C6 C7 C8 C9 . . . . -164.02(16) ?
C6 C7 C8 C12 . . . . 79.4(2) ?
C12 C8 C9 C20 . . . . 150.4(2) ?
C7 C8 C9 C20 . . . . 27.1(3) ?
C12 C8 C9 C10 . . . . -27.54(19) ?
C7 C8 C9 C10 . . . . -150.80(16) ?
C12 O7 C10 O2 . . . . -173.31(19) ?
C12 O7 C10 C9 . . . . 6.2(2) ?
C20 C9 C10 O2 . . . . 15.7(3) ?
C8 C9 C10 O2 . . . . -166.1(2) ?
C20 C9 C10 O7 . . . . -163.78(18) ?
C8 C9 C10 O7 . . . . 14.4(2) ?
C6 O4 C11 O5 . . . . 178.21(19) ?
C6 O4 C11 C4 . . . . -2.0(2) ?
C5 C4 C11 O5 . . . . 156.5(2) ?
C3 C4 C11 O5 . . . . -93.4(3) ?
C5 C4 C11 O4 . . . . -23.2(2) ?
C3 C4 C11 O4 . . . . 86.84(19) ?
C10 O7 C12 C13 . . . . -147.78(17) ?
C10 O7 C12 C8 . . . . -24.1(2) ?
C9 C8 C12 O7 . . . . 30.88(18) ?
C7 C8 C12 O7 . . . . 156.58(15) ?
C9 C8 C12 C13 . . . . 148.88(16) ?
C7 C8 C12 C13 . . . . -85.4(2) ?
O7 C12 C13 C14 . . . . -174.86(17) ?
C8 C12 C13 C14 . . . . 68.6(2) ?
C16 O6 C14 C15 . . . . -108.99(18) ?
C16 O6 C14 C13 . . . . 119.21(17) ?
C12 C13 C14 O6 . . . . -106.9(2) ?
C12 C13 C14 C16 . . . . -40.7(3) ?
C12 C13 C14 C15 . . . . 120.0(2) ?
C14 O6 C16 C17 . . . . 115.49(18) ?
C14 O6 C16 C6 . . . . -122.49(18) ?
C15 C14 C16 O6 . . . . 103.95(19) ?
C13 C14 C16 O6 . . . . -96.2(2) ?
O6 C14 C16 C17 . . . . -100.33(19) ?
C15 C14 C16 C17 . . . . 3.6(3) ?
C13 C14 C16 C17 . . . . 163.44(19) ?
O6 C14 C16 C6 . . . . 101.6(2) ?
C15 C14 C16 C6 . . . . -154.47(19) ?
C13 C14 C16 C6 . . . . 5.3(3) ?
O4 C6 C16 O6 . . . . -18.6(2) ?
C7 C6 C16 O6 . . . . 104.32(18) ?
C5 C6 C16 O6 . . . . -128.44(16) ?
O4 C6 C16 C14 . . . . -90.5(2) ?
C7 C6 C16 C14 . . . . 32.4(3) ?
C5 C6 C16 C14 . . . . 159.66(19) ?
O4 C6 C16 C17 . . . . 108.30(15) ?
C7 C6 C16 C17 . . . . -128.76(16) ?
C5 C6 C16 C17 . . . . -1.51(18) ?
C2 C3 C17 C18 . . . . 83.56(18) ?
C4 C3 C17 C18 . . . . -38.66(17) ?
C2 C3 C17 C16 . . . . -169.81(15) ?
C4 C3 C17 C16 . . . . 67.97(16) ?
O6 C16 C17 C18 . . . . 163.69(15) ?
C14 C16 C17 C18 . . . . -128.18(18) ?
C6 C16 C17 C18 . . . . 34.70(18) ?
O6 C16 C17 C3 . . . . 56.72(18) ?
C14 C16 C17 C3 . . . . 124.85(18) ?
C6 C16 C17 C3 . . . . -72.27(17) ?
C19 C5 C18 C17 . . . . -176.74(16) ?
C4 C5 C18 C17 . . . . -48.90(16) ?
C6 C5 C18 C17 . . . . 52.93(17) ?
C3 C17 C18 C5 . . . . 53.84(16) ?
C16 C17 C18 C5 . . . . -53.72(16) ?

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
C1 H3 O3 3_746 0.98 2.36 3.314(3) 164.4 ?
C4 H5 O4 2_556 1.00 2.53 3.513(2) 166.0 ?
C8 H15 O5 2_456 1.00 2.50 3.347(2) 142.6 ?
C12 H6 O2 2_566 1.00 2.34 3.272(2) 154.8 ?



