# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_1_a
_database_code_depnum_ccdc_archive 'CCDC 2270515'
loop_
_audit_author_name
_audit_author_address
'Aculeatone C'
;Universty
China
;
_audit_update_record             
;
2023-06-17 deposited with the CCDC.	2024-04-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H38 O8'
_chemical_formula_weight         478.56

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   5.2086(2)
_cell_length_b                   8.4125(3)
_cell_length_c                   14.6300(4)
_cell_angle_alpha                99.633(3)
_cell_angle_beta                 95.136(3)
_cell_angle_gamma                94.571(3)
_cell_volume                     626.54(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    8930
_cell_measurement_theta_min      5.674
_cell_measurement_theta_max      73.776

_exptl_crystal_description       Block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.268
_exptl_crystal_F_000             258
_exptl_transmission_factor_min   0.864
_exptl_transmission_factor_max   0.864
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    0.765
_shelx_estimated_absorpt_T_min   0.862
_shelx_estimated_absorpt_T_max   0.862
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ccd
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            11371
_diffrn_reflns_av_unetI/netI     0.0345
_diffrn_reflns_av_R_equivalents  0.0498
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.081
_diffrn_reflns_theta_max         74.373
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.886
_diffrn_reflns_point_group_measured_fraction_full 0.936
_reflns_number_total             4554
_reflns_number_gt                4454
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.835
_reflns_Friedel_fraction_max     0.807
_reflns_Friedel_fraction_full    0.876

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1162P)²+0.0701P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 1949 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.08(16)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         4554
_refine_ls_number_parameters     314
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0533
_refine_ls_R_factor_gt           0.0529
_refine_ls_wR_factor_ref         0.1424
_refine_ls_wR_factor_gt          0.1416
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.026
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
C1 C 0.6291(7) 0.1143(4) 0.3095(2) 0.0244(6) Uani 1 1 d . . . . .
H1A H 0.6550 0.0178 0.2673 0.037 Uiso 1 1 calc R U . . .
H1B H 0.5440 0.0852 0.3608 0.037 Uiso 1 1 calc R U . . .
H1C H 0.7937 0.1736 0.3326 0.037 Uiso 1 1 calc R U . . .
C2 C 0.4616(6) 0.2195(3) 0.2583(2) 0.0207(6) Uani 1 1 d . . . . .
H2 H 0.2847 0.1660 0.2467 0.025 Uiso 1 1 calc R U . . .
C3 C 0.5552(6) 0.2365(3) 0.1648(2) 0.0211(6) Uani 1 1 d . . . . .
C4 C 0.3833(6) 0.3219(4) 0.1055(2) 0.0230(6) Uani 1 1 d . . . . .
H4A H 0.2121 0.2636 0.0922 0.028 Uiso 1 1 calc R U . . .
H4B H 0.4540 0.3275 0.0469 0.028 Uiso 1 1 calc R U . . .
C5 C 0.3670(6) 0.4938(4) 0.1595(2) 0.0204(6) Uani 1 1 d . . . . .
H5 H 0.5428 0.5489 0.1706 0.024 Uiso 1 1 calc R U . . .
C6 C 0.2683(6) 0.4889(4) 0.2557(2) 0.0194(6) Uani 1 1 d . . . . .
H6 H 0.0950 0.4303 0.2457 0.023 Uiso 1 1 calc R U . . .
C7 C 0.4495(6) 0.3955(3) 0.3130(2) 0.0187(6) Uani 1 1 d . . . . .
H7 H 0.6241 0.4522 0.3214 0.022 Uiso 1 1 calc R U . . .
C8 C 0.3699(6) 0.3780(3) 0.4077(2) 0.0205(6) Uani 1 1 d . . . . .
H8 H 0.2000 0.3186 0.4075 0.025 Uiso 1 1 calc R U . . .
C9 C 0.5626(6) 0.3627(3) 0.4842(2) 0.0218(6) Uani 1 1 d . . . . .
H9 H 0.7424 0.3685 0.4693 0.026 Uiso 1 1 calc R U . . .
C10 C 0.5047(6) 0.2617(4) 0.5575(2) 0.0232(6) Uani 1 1 d . . . . .
H10 H 0.5741 0.1572 0.5400 0.028 Uiso 1 1 calc R U . . .
C11 C 0.6401(6) 0.3402(4) 0.6511(2) 0.0234(6) Uani 1 1 d . . . . .
H11 H 0.8121 0.3816 0.6538 0.028 Uiso 1 1 calc R U . . .
C12 C 0.5306(6) 0.3544(4) 0.7298(2) 0.0226(6) Uani 1 1 d . . . . .
H12 H 0.3563 0.3169 0.7255 0.027 Uiso 1 1 calc R U . . .
C13 C 0.6610(6) 0.4256(4) 0.8260(2) 0.0221(6) Uani 1 1 d . . . . .
C14 C 0.8635(7) 0.5658(4) 0.8262(2) 0.0264(7) Uani 1 1 d . . . . .
H14A H 0.9990 0.5284 0.7901 0.040 Uiso 1 1 calc R U . . .
H14B H 0.9349 0.6086 0.8891 0.040 Uiso 1 1 calc R U . . .
H14C H 0.7845 0.6491 0.7994 0.040 Uiso 1 1 calc R U . . .
C15 C 0.7880(6) 0.2870(4) 0.8640(2) 0.0220(6) Uani 1 1 d . . . . .
C16 C 0.6974(8) 0.0365(4) 0.9130(3) 0.0317(7) Uani 1 1 d . . . . .
H16A H 0.8053 -0.0175 0.8703 0.048 Uiso 1 1 calc R U . . .
H16B H 0.5526 -0.0372 0.9196 0.048 Uiso 1 1 calc R U . . .
H16C H 0.7958 0.0726 0.9726 0.048 Uiso 1 1 calc R U . . .
C17 C 0.2039(7) 0.5881(4) 0.0998(2) 0.0233(6) Uani 1 1 d . . . . .
H17A H 0.0287 0.5355 0.0871 0.028 Uiso 1 1 calc R U . . .
H17B H 0.2750 0.5874 0.0407 0.028 Uiso 1 1 calc R U . . .
C18 C 0.1973(7) 0.7627(4) 0.1482(2) 0.0241(7) Uani 1 1 d . . . . .
H18 H 0.3745 0.8156 0.1582 0.029 Uiso 1 1 calc R U . . .
C19 C 0.0969(6) 0.7625(4) 0.2435(2) 0.0223(6) Uani 1 1 d . . . . .
H19A H 0.1067 0.8733 0.2764 0.027 Uiso 1 1 calc R U . . .
H19B H -0.0838 0.7198 0.2341 0.027 Uiso 1 1 calc R U . . .
C20 C 0.2465(6) 0.6629(3) 0.30427(19) 0.0187(6) Uani 1 1 d . . . . .
H20 H 0.4197 0.7178 0.3257 0.022 Uiso 1 1 calc R U . . .
C21 C 0.1564(6) 0.7702(4) 0.4592(2) 0.0224(6) Uani 1 1 d . . . . .
C22 C -0.0128(7) 0.7445(4) 0.5351(2) 0.0289(7) Uani 1 1 d . . . . .
H22A H -0.1841 0.7755 0.5187 0.035 Uiso 1 1 calc R U . . .
H22B H -0.0304 0.6302 0.5390 0.035 Uiso 1 1 calc R U . . .
C23 C 0.0931(7) 0.8396(4) 0.6285(2) 0.0264(7) Uani 1 1 d . . . . .
C24 C 0.3234(9) 0.7786(7) 0.6742(3) 0.0518(12) Uani 1 1 d . . . . .
H24A H 0.2781 0.6710 0.6851 0.078 Uiso 1 1 calc R U . . .
H24B H 0.3804 0.8487 0.7325 0.078 Uiso 1 1 calc R U . . .
H24C H 0.4603 0.7768 0.6343 0.078 Uiso 1 1 calc R U . . .
C25 C 0.0317(8) 0.8554(4) 0.0879(2) 0.0334(8) Uani 1 1 d . . . . .
H25A H 0.1015 0.8547 0.0293 0.050 Uiso 1 1 calc R U . . .
H25B H 0.0321 0.9652 0.1193 0.050 Uiso 1 1 calc R U . . .
H25C H -0.1426 0.8046 0.0772 0.050 Uiso 1 1 calc R U . . .
O1 O 0.7605(5) 0.1935(3) 0.14317(16) 0.0280(5) Uani 1 1 d . . . . .
O2 O 0.4404(4) 0.5101(2) 0.48491(15) 0.0228(5) Uani 1 1 d . . . . .
O3 O 0.2345(5) 0.2308(3) 0.55950(16) 0.0296(5) Uani 1 1 d . . . . .
H3 H 0.1950 0.1328 0.5511 0.044 Uiso 1 1 calc R U . . .
O4 O 0.4796(5) 0.4853(3) 0.88689(16) 0.0270(5) Uani 1 1 d . . . . .
H4 H 0.3450 0.4247 0.8762 0.040 Uiso 1 1 calc R U . . .
O5 O 0.6046(5) 0.1749(3) 0.87756(17) 0.0278(5) Uani 1 1 d . . . . .
O6 O 1.0157(5) 0.2754(3) 0.87779(18) 0.0303(5) Uani 1 1 d . . . . .
O7 O 0.1001(4) 0.6529(2) 0.38405(14) 0.0212(5) Uani 1 1 d . . . . .
O8 O 0.3165(5) 0.8847(3) 0.46368(16) 0.0322(6) Uani 1 1 d . . . . .
C26 C -0.0166(10) 0.9664(4) 0.6684(3) 0.0412(10) Uani 1 1 d . . . . .
H26A H 0.0502 1.0214 0.7273 0.049 Uiso 1 1 calc R U . . .
H26B H -0.1603 1.0006 0.6374 0.049 Uiso 1 1 calc R U . . .


_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
C1 C2 1.528(4) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.519(4) . ?
C2 C7 1.569(4) . ?
C2 H2 0.9800 . ?
C3 O1 1.208(4) . ?
C3 C4 1.496(4) . ?
C4 C5 1.540(4) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C17 1.523(4) . ?
C5 C6 1.547(4) . ?
C5 H5 0.9800 . ?
C6 C20 1.534(4) . ?
C6 C7 1.551(4) . ?
C6 H6 0.9800 . ?
C7 C8 1.509(4) . ?
C7 H7 0.9800 . ?
C8 O2 1.444(3) . ?
C8 C9 1.464(4) . ?
C8 H8 0.9800 . ?
C9 O2 1.437(3) . ?
C9 C10 1.512(4) . ?
C9 H9 0.9800 . ?
C10 O3 1.415(4) . ?
C10 C11 1.503(4) . ?
C10 H10 0.9800 . ?
C11 C12 1.322(5) . ?
C11 H11 0.9300 . ?
C12 C13 1.511(4) . ?
C12 H12 0.9300 . ?
C13 O4 1.420(4) . ?
C13 C14 1.518(4) . ?
C13 C15 1.542(4) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 O6 1.199(4) . ?
C15 O5 1.340(4) . ?
C16 O5 1.451(4) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.525(4) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 C25 1.527(4) . ?
C18 C19 1.532(4) . ?
C18 H18 0.9800 . ?
C19 C20 1.526(4) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 O7 1.460(3) . ?
C20 H20 0.9800 . ?
C21 O8 1.212(4) . ?
C21 O7 1.343(4) . ?
C21 C22 1.511(4) . ?
C22 C23 1.497(5) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C26 1.324(5) . ?
C23 C24 1.489(6) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
O3 H3 0.8200 . ?
O4 H4 0.8200 . ?
C26 H26A 0.9300 . ?
C26 H26B 0.9300 . ?

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
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 C1 111.4(2) . . ?
C3 C2 C7 106.9(2) . . ?
C1 C2 C7 114.6(2) . . ?
C3 C2 H2 107.9 . . ?
C1 C2 H2 107.9 . . ?
C7 C2 H2 107.9 . . ?
O1 C3 C4 123.1(3) . . ?
O1 C3 C2 122.1(3) . . ?
C4 C3 C2 114.6(3) . . ?
C3 C4 C5 107.9(2) . . ?
C3 C4 H4A 110.1 . . ?
C5 C4 H4A 110.1 . . ?
C3 C4 H4B 110.1 . . ?
C5 C4 H4B 110.1 . . ?
H4A C4 H4B 108.4 . . ?
C17 C5 C4 109.8(2) . . ?
C17 C5 C6 113.0(2) . . ?
C4 C5 C6 111.3(2) . . ?
C17 C5 H5 107.5 . . ?
C4 C5 H5 107.5 . . ?
C6 C5 H5 107.5 . . ?
C20 C6 C5 108.8(2) . . ?
C20 C6 C7 113.3(2) . . ?
C5 C6 C7 109.7(2) . . ?
C20 C6 H6 108.3 . . ?
C5 C6 H6 108.3 . . ?
C7 C6 H6 108.3 . . ?
C8 C7 C6 114.9(2) . . ?
C8 C7 C2 106.6(2) . . ?
C6 C7 C2 110.0(2) . . ?
C8 C7 H7 108.4 . . ?
C6 C7 H7 108.4 . . ?
C2 C7 H7 108.4 . . ?
O2 C8 C9 59.23(18) . . ?
O2 C8 C7 119.0(2) . . ?
C9 C8 C7 120.9(3) . . ?
O2 C8 H8 115.4 . . ?
C9 C8 H8 115.4 . . ?
C7 C8 H8 115.4 . . ?
O2 C9 C8 59.72(18) . . ?
O2 C9 C10 118.1(2) . . ?
C8 C9 C10 122.4(3) . . ?
O2 C9 H9 115.1 . . ?
C8 C9 H9 115.1 . . ?
C10 C9 H9 115.1 . . ?
O3 C10 C11 112.3(3) . . ?
O3 C10 C9 110.8(3) . . ?
C11 C10 C9 110.7(3) . . ?
O3 C10 H10 107.6 . . ?
C11 C10 H10 107.6 . . ?
C9 C10 H10 107.6 . . ?
C12 C11 C10 124.3(3) . . ?
C12 C11 H11 117.9 . . ?
C10 C11 H11 117.9 . . ?
C11 C12 C13 126.3(3) . . ?
C11 C12 H12 116.8 . . ?
C13 C12 H12 116.8 . . ?
O4 C13 C12 111.5(3) . . ?
O4 C13 C14 106.6(3) . . ?
C12 C13 C14 113.1(3) . . ?
O4 C13 C15 108.9(2) . . ?
C12 C13 C15 106.6(2) . . ?
C14 C13 C15 110.0(3) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O6 C15 O5 123.5(3) . . ?
O6 C15 C13 126.6(3) . . ?
O5 C15 C13 109.8(3) . . ?
O5 C16 H16A 109.5 . . ?
O5 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
O5 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C5 C17 C18 111.5(2) . . ?
C5 C17 H17A 109.3 . . ?
C18 C17 H17A 109.3 . . ?
C5 C17 H17B 109.3 . . ?
C18 C17 H17B 109.3 . . ?
H17A C17 H17B 108.0 . . ?
C17 C18 C25 110.9(3) . . ?
C17 C18 C19 108.9(2) . . ?
C25 C18 C19 111.7(3) . . ?
C17 C18 H18 108.4 . . ?
C25 C18 H18 108.4 . . ?
C19 C18 H18 108.4 . . ?
C20 C19 C18 113.7(2) . . ?
C20 C19 H19A 108.8 . . ?
C18 C19 H19A 108.8 . . ?
C20 C19 H19B 108.8 . . ?
C18 C19 H19B 108.8 . . ?
H19A C19 H19B 107.7 . . ?
O7 C20 C19 106.2(2) . . ?
O7 C20 C6 107.3(2) . . ?
C19 C20 C6 113.7(2) . . ?
O7 C20 H20 109.8 . . ?
C19 C20 H20 109.8 . . ?
C6 C20 H20 109.8 . . ?
O8 C21 O7 123.9(3) . . ?
O8 C21 C22 124.8(3) . . ?
O7 C21 C22 111.3(3) . . ?
C23 C22 C21 112.8(3) . . ?
C23 C22 H22A 109.0 . . ?
C21 C22 H22A 109.0 . . ?
C23 C22 H22B 109.0 . . ?
C21 C22 H22B 109.0 . . ?
H22A C22 H22B 107.8 . . ?
C26 C23 C24 122.7(4) . . ?
C26 C23 C22 121.8(4) . . ?
C24 C23 C22 115.5(3) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C18 C25 H25A 109.5 . . ?
C18 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C18 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C9 O2 C8 61.05(19) . . ?
C10 O3 H3 109.5 . . ?
C13 O4 H4 109.5 . . ?
C15 O5 C16 115.7(3) . . ?
C21 O7 C20 117.5(2) . . ?
C23 C26 H26A 120.0 . . ?
C23 C26 H26B 120.0 . . ?
H26A C26 H26B 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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 C3 O1 -11.3(4) . . . . ?
C7 C2 C3 O1 114.7(3) . . . . ?
C1 C2 C3 C4 173.3(2) . . . . ?
C7 C2 C3 C4 -60.7(3) . . . . ?
O1 C3 C4 C5 -115.2(3) . . . . ?
C2 C3 C4 C5 60.2(3) . . . . ?
C3 C4 C5 C17 177.3(2) . . . . ?
C3 C4 C5 C6 -56.8(3) . . . . ?
C17 C5 C6 C20 -53.8(3) . . . . ?
C4 C5 C6 C20 -177.9(3) . . . . ?
C17 C5 C6 C7 -178.3(2) . . . . ?
C4 C5 C6 C7 57.7(3) . . . . ?
C20 C6 C7 C8 59.9(3) . . . . ?
C5 C6 C7 C8 -178.4(2) . . . . ?
C20 C6 C7 C2 -179.8(2) . . . . ?
C5 C6 C7 C2 -58.0(3) . . . . ?
C3 C2 C7 C8 -177.1(2) . . . . ?
C1 C2 C7 C8 -53.1(3) . . . . ?
C3 C2 C7 C6 57.6(3) . . . . ?
C1 C2 C7 C6 -178.3(2) . . . . ?
C6 C7 C8 O2 -82.6(3) . . . . ?
C2 C7 C8 O2 155.2(3) . . . . ?
C6 C7 C8 C9 -152.1(3) . . . . ?
C2 C7 C8 C9 85.7(3) . . . . ?
C7 C8 C9 O2 107.5(3) . . . . ?
O2 C8 C9 C10 106.0(3) . . . . ?
C7 C8 C9 C10 -146.5(3) . . . . ?
O2 C9 C10 O3 51.7(4) . . . . ?
C8 C9 C10 O3 -18.5(4) . . . . ?
O2 C9 C10 C11 -73.7(3) . . . . ?
C8 C9 C10 C11 -143.9(3) . . . . ?
O3 C10 C11 C12 10.9(4) . . . . ?
C9 C10 C11 C12 135.4(3) . . . . ?
C10 C11 C12 C13 177.2(3) . . . . ?
C11 C12 C13 O4 155.2(3) . . . . ?
C11 C12 C13 C14 35.0(4) . . . . ?
C11 C12 C13 C15 -86.1(4) . . . . ?
O4 C13 C15 O6 -128.0(3) . . . . ?
C12 C13 C15 O6 111.5(3) . . . . ?
C14 C13 C15 O6 -11.5(4) . . . . ?
O4 C13 C15 O5 53.8(3) . . . . ?
C12 C13 C15 O5 -66.6(3) . . . . ?
C14 C13 C15 O5 170.3(3) . . . . ?
C4 C5 C17 C18 -176.3(3) . . . . ?
C6 C5 C17 C18 58.8(3) . . . . ?
C5 C17 C18 C25 -179.6(3) . . . . ?
C5 C17 C18 C19 -56.3(3) . . . . ?
C17 C18 C19 C20 53.8(4) . . . . ?
C25 C18 C19 C20 176.6(3) . . . . ?
C18 C19 C20 O7 -170.5(2) . . . . ?
C18 C19 C20 C6 -52.8(4) . . . . ?
C5 C6 C20 O7 167.5(2) . . . . ?
C7 C6 C20 O7 -70.2(3) . . . . ?
C5 C6 C20 C19 50.4(3) . . . . ?
C7 C6 C20 C19 172.6(2) . . . . ?
O8 C21 C22 C23 -19.9(5) . . . . ?
O7 C21 C22 C23 162.5(3) . . . . ?
C21 C22 C23 C26 108.7(4) . . . . ?
C21 C22 C23 C24 -73.2(4) . . . . ?
C10 C9 O2 C8 -113.1(3) . . . . ?
C7 C8 O2 C9 -110.7(3) . . . . ?
O6 C15 O5 C16 1.5(4) . . . . ?
C13 C15 O5 C16 179.8(3) . . . . ?
O8 C21 O7 C20 1.7(4) . . . . ?
C22 C21 O7 C20 179.3(3) . . . . ?
C19 C20 O7 C21 -89.4(3) . . . . ?
C6 C20 O7 C21 148.7(3) . . . . ?

_refine_diff_density_max         0.308
_refine_diff_density_min         -0.343
_refine_diff_density_rms         0.073



####################################################################### 
# 
# 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_1_a_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2270516'
loop_
_audit_author_name
_audit_author_address
'Aculeatone D'
;Universty
China
;
_audit_update_record             
;
2023-06-17 deposited with the CCDC.	2024-04-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H38 O8'
_chemical_formula_weight         478.56

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   5.43290(10)
_cell_length_b                   8.1894(3)
_cell_length_c                   14.5694(4)
_cell_angle_alpha                93.890(2)
_cell_angle_beta                 96.453(2)
_cell_angle_gamma                96.872(2)
_cell_volume                     637.32(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    11123
_cell_measurement_theta_min      3.056
_cell_measurement_theta_max      73.854

_exptl_crystal_description       Block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.247
_exptl_crystal_F_000             258
_exptl_transmission_factor_min   0.864
_exptl_transmission_factor_max   0.864
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    0.752
_shelx_estimated_absorpt_T_min   0.915
_shelx_estimated_absorpt_T_max   0.942
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ccd
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            12212
_diffrn_reflns_av_unetI/netI     0.0104
_diffrn_reflns_av_R_equivalents  0.0162
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.063
_diffrn_reflns_theta_max         74.015
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.892
_diffrn_reflns_point_group_measured_fraction_full 0.940
_reflns_number_total             4620
_reflns_number_gt                4612
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.852
_reflns_Friedel_fraction_max     0.821
_reflns_Friedel_fraction_full    0.887

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0609P)²+0.0740P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 2108 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.18(5)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         4620
_refine_ls_number_parameters     314
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0334
_refine_ls_R_factor_gt           0.0334
_refine_ls_wR_factor_ref         0.0884
_refine_ls_wR_factor_gt          0.0884
_refine_ls_goodness_of_fit_ref   1.166
_refine_ls_restrained_S_all      1.166
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
C1 C 0.3666(5) 0.7673(4) 0.66786(18) 0.0396(6) Uani 1 1 d . . . . .
H1A H 0.3231 0.6625 0.6916 0.059 Uiso 1 1 calc R U . . .
H1B H 0.4358 0.8472 0.7182 0.059 Uiso 1 1 calc R U . . .
H1C H 0.4878 0.7568 0.6254 0.059 Uiso 1 1 calc R U . . .
C2 C 0.1379(4) 0.8223(2) 0.61860(13) 0.0196(4) Uani 1 1 d . . . . .
C3 C 0.0385(4) 0.7242(2) 0.52780(13) 0.0182(4) Uani 1 1 d . . . . .
H3A H 0.0450 0.6079 0.5353 0.022 Uiso 1 1 calc R U . . .
H3B H -0.1351 0.7392 0.5120 0.022 Uiso 1 1 calc R U . . .
C4 C 0.1825(4) 0.7734(2) 0.44926(13) 0.0157(4) Uani 1 1 d . . . . .
C5 C 0.2376(3) 0.6968(2) 0.29205(12) 0.0124(4) Uani 1 1 d . . . . .
H5 H 0.4036 0.7592 0.3097 0.015 Uiso 1 1 calc R U . . .
C6 C 0.0711(4) 0.8003(2) 0.23544(13) 0.0148(4) Uani 1 1 d . . . . .
H6A H 0.0808 0.9083 0.2683 0.018 Uiso 1 1 calc R U . . .
H6B H -0.1005 0.7486 0.2311 0.018 Uiso 1 1 calc R U . . .
C7 C 0.1381(4) 0.8226(2) 0.13743(12) 0.0151(4) Uani 1 1 d . . . . .
H7 H 0.3028 0.8883 0.1420 0.018 Uiso 1 1 calc R U . . .
C8 C 0.1523(4) 0.6539(2) 0.08863(13) 0.0157(4) Uani 1 1 d . . . . .
H8A H 0.2050 0.6683 0.0279 0.019 Uiso 1 1 calc R U . . .
H8B H -0.0125 0.5906 0.0799 0.019 Uiso 1 1 calc R U . . .
C9 C 0.3346(4) 0.5583(2) 0.14388(12) 0.0129(4) Uani 1 1 d . . . . .
H9 H 0.4995 0.6242 0.1515 0.016 Uiso 1 1 calc R U . . .
C10 C 0.2620(4) 0.5291(2) 0.24158(12) 0.0117(3) Uani 1 1 d . . . . .
H10 H 0.0984 0.4617 0.2344 0.014 Uiso 1 1 calc R U . . .
C11 C 0.4546(3) 0.4322(2) 0.29431(12) 0.0117(4) Uani 1 1 d . . . . .
H11 H 0.6198 0.4971 0.2987 0.014 Uiso 1 1 calc R U . . .
C12 C 0.4639(3) 0.2635(2) 0.23822(12) 0.0130(4) Uani 1 1 d . . . . .
H12 H 0.2945 0.2037 0.2289 0.016 Uiso 1 1 calc R U . . .
C13 C 0.5358(3) 0.3037(2) 0.14386(13) 0.0135(4) Uani 1 1 d . . . . .
C14 C 0.3546(4) 0.3944(2) 0.08829(12) 0.0159(4) Uani 1 1 d . . . . .
H14A H 0.1922 0.3282 0.0765 0.019 Uiso 1 1 calc R U . . .
H14B H 0.4126 0.4161 0.0292 0.019 Uiso 1 1 calc R U . . .
C15 C -0.0520(4) 0.9136(2) 0.08274(14) 0.0198(4) Uani 1 1 d . . . . .
H15A H -0.2154 0.8524 0.0794 0.030 Uiso 1 1 calc R U . . .
H15B H -0.0080 0.9244 0.0213 0.030 Uiso 1 1 calc R U . . .
H15C H -0.0522 1.0213 0.1133 0.030 Uiso 1 1 calc R U . . .
C16 C 0.6378(4) 0.1515(2) 0.28491(13) 0.0170(4) Uani 1 1 d . . . . .
H16A H 0.7990 0.2133 0.3042 0.026 Uiso 1 1 calc R U . . .
H16B H 0.6543 0.0606 0.2418 0.026 Uiso 1 1 calc R U . . .
H16C H 0.5691 0.1103 0.3380 0.026 Uiso 1 1 calc R U . . .
C17 C 0.4025(3) 0.3961(2) 0.39095(12) 0.0118(3) Uani 1 1 d . . . . .
H17 H 0.2411 0.3313 0.3953 0.014 Uiso 1 1 calc R U . . .
C18 C 0.6050(3) 0.3739(2) 0.46253(12) 0.0123(4) Uani 1 1 d . . . . .
H18 H 0.7728 0.3853 0.4431 0.015 Uiso 1 1 calc R U . . .
C19 C 0.5644(4) 0.2578(2) 0.53739(12) 0.0141(4) Uani 1 1 d . . . . .
H19 H 0.6117 0.1511 0.5162 0.017 Uiso 1 1 calc R U . . .
C20 C 0.7267(4) 0.3176(2) 0.62750(13) 0.0154(4) Uani 1 1 d . . . . .
H20 H 0.8988 0.3368 0.6272 0.018 Uiso 1 1 calc R U . . .
C21 C 0.6345(4) 0.3437(2) 0.70657(13) 0.0173(4) Uani 1 1 d . . . . .
H21 H 0.4617 0.3332 0.7049 0.021 Uiso 1 1 calc R U . . .
C22 C 0.7899(4) 0.3895(3) 0.79987(13) 0.0199(4) Uani 1 1 d . . . . .
C23 C 0.7134(4) 0.5445(3) 0.84818(15) 0.0261(5) Uani 1 1 d . . . . .
H23A H 0.7571 0.6380 0.8142 0.039 Uiso 1 1 calc R U . . .
H23B H 0.7989 0.5630 0.9100 0.039 Uiso 1 1 calc R U . . .
H23C H 0.5363 0.5297 0.8505 0.039 Uiso 1 1 calc R U . . .
C24 C 0.7464(4) 0.2406(3) 0.85685(13) 0.0199(4) Uani 1 1 d . . . . .
C25 C 0.4566(4) 0.0544(3) 0.91779(15) 0.0243(4) Uani 1 1 d . . . . .
H25A H 0.5056 -0.0378 0.8832 0.036 Uiso 1 1 calc R U . . .
H25B H 0.2810 0.0346 0.9228 0.036 Uiso 1 1 calc R U . . .
H25C H 0.5485 0.0684 0.9786 0.036 Uiso 1 1 calc R U . . .
C26 C 0.0258(5) 0.9429(3) 0.65246(17) 0.0307(5) Uani 1 1 d . . . . .
H26A H 0.0884 0.9984 0.7097 0.037 Uiso 1 1 calc R U . . .
H26B H -0.1160 0.9726 0.6191 0.037 Uiso 1 1 calc R U . . .
O2 O 0.3293(3) 0.89689(18) 0.45001(11) 0.0271(4) Uani 1 1 d . . . . .
O3 O 0.1190(2) 0.66305(15) 0.37486(9) 0.0125(3) Uani 1 1 d . . . . .
O4 O 0.7324(3) 0.27462(17) 0.11831(10) 0.0196(3) Uani 1 1 d . . . . .
O5 O 0.4879(2) 0.52267(15) 0.46574(9) 0.0142(3) Uani 1 1 d . . . . .
O6 O 0.3064(3) 0.23289(17) 0.54867(9) 0.0180(3) Uani 1 1 d . . . . .
H6 H 0.2572 0.1337 0.5440 0.027 Uiso 1 1 calc R U . . .
O7 O 1.0496(3) 0.4180(2) 0.79213(11) 0.0256(3) Uani 1 1 d . . . . .
H7A H 1.1169 0.3396 0.8102 0.038 Uiso 1 1 calc R U . . .
O8 O 0.9120(3) 0.1630(2) 0.88363(12) 0.0312(4) Uani 1 1 d . . . . .
O9 O 0.5090(3) 0.20293(19) 0.87038(10) 0.0223(3) Uani 1 1 d . . . . .


_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
C1 C2 1.497(3) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C26 1.317(3) . ?
C2 C3 1.510(3) . ?
C3 C4 1.507(3) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 O2 1.209(3) . ?
C4 O3 1.349(2) . ?
C5 O3 1.458(2) . ?
C5 C6 1.526(2) . ?
C5 C10 1.540(2) . ?
C5 H5 0.9800 . ?
C6 C7 1.530(2) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.525(2) . ?
C7 C15 1.529(2) . ?
C7 H7 0.9800 . ?
C8 C9 1.528(2) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C14 1.541(2) . ?
C9 C10 1.545(2) . ?
C9 H9 0.9800 . ?
C10 C11 1.554(2) . ?
C10 H10 0.9800 . ?
C11 C17 1.509(2) . ?
C11 C12 1.566(2) . ?
C11 H11 0.9800 . ?
C12 C13 1.517(2) . ?
C12 C16 1.531(2) . ?
C12 H12 0.9800 . ?
C13 O4 1.214(2) . ?
C13 C14 1.501(2) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 O5 1.447(2) . ?
C17 C18 1.465(3) . ?
C17 H17 0.9800 . ?
C18 O5 1.441(2) . ?
C18 C19 1.512(2) . ?
C18 H18 0.9800 . ?
C19 O6 1.422(2) . ?
C19 C20 1.513(2) . ?
C19 H19 0.9800 . ?
C20 C21 1.321(3) . ?
C20 H20 0.9300 . ?
C21 C22 1.516(3) . ?
C21 H21 0.9300 . ?
C22 O7 1.421(3) . ?
C22 C24 1.531(3) . ?
C22 C23 1.533(3) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 O8 1.207(3) . ?
C24 O9 1.329(3) . ?
C25 O9 1.454(3) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9300 . ?
C26 H26B 0.9300 . ?
O6 H6 0.8200 . ?
O7 H7A 0.8200 . ?

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
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C26 C2 C1 123.2(2) . . ?
C26 C2 C3 122.1(2) . . ?
C1 C2 C3 114.61(19) . . ?
C4 C3 C2 113.00(17) . . ?
C4 C3 H3A 109.0 . . ?
C2 C3 H3A 109.0 . . ?
C4 C3 H3B 109.0 . . ?
C2 C3 H3B 109.0 . . ?
H3A C3 H3B 107.8 . . ?
O2 C4 O3 123.50(18) . . ?
O2 C4 C3 125.78(17) . . ?
O3 C4 C3 110.67(16) . . ?
O3 C5 C6 106.51(14) . . ?
O3 C5 C10 107.30(14) . . ?
C6 C5 C10 113.49(14) . . ?
O3 C5 H5 109.8 . . ?
C6 C5 H5 109.8 . . ?
C10 C5 H5 109.8 . . ?
C5 C6 C7 114.46(15) . . ?
C5 C6 H6A 108.6 . . ?
C7 C6 H6A 108.6 . . ?
C5 C6 H6B 108.6 . . ?
C7 C6 H6B 108.6 . . ?
H6A C6 H6B 107.6 . . ?
C8 C7 C15 110.98(15) . . ?
C8 C7 C6 109.15(15) . . ?
C15 C7 C6 110.96(15) . . ?
C8 C7 H7 108.6 . . ?
C15 C7 H7 108.6 . . ?
C6 C7 H7 108.6 . . ?
C7 C8 C9 111.84(15) . . ?
C7 C8 H8A 109.2 . . ?
C9 C8 H8A 109.2 . . ?
C7 C8 H8B 109.2 . . ?
C9 C8 H8B 109.2 . . ?
H8A C8 H8B 107.9 . . ?
C8 C9 C14 109.51(14) . . ?
C8 C9 C10 112.39(14) . . ?
C14 C9 C10 111.49(14) . . ?
C8 C9 H9 107.8 . . ?
C14 C9 H9 107.8 . . ?
C10 C9 H9 107.8 . . ?
C5 C10 C9 108.76(14) . . ?
C5 C10 C11 113.51(13) . . ?
C9 C10 C11 109.92(14) . . ?
C5 C10 H10 108.2 . . ?
C9 C10 H10 108.2 . . ?
C11 C10 H10 108.2 . . ?
C17 C11 C10 114.72(15) . . ?
C17 C11 C12 107.75(14) . . ?
C10 C11 C12 109.66(13) . . ?
C17 C11 H11 108.2 . . ?
C10 C11 H11 108.2 . . ?
C12 C11 H11 108.2 . . ?
C13 C12 C16 111.38(15) . . ?
C13 C12 C11 106.75(14) . . ?
C16 C12 C11 115.09(14) . . ?
C13 C12 H12 107.8 . . ?
C16 C12 H12 107.8 . . ?
C11 C12 H12 107.8 . . ?
O4 C13 C14 122.83(17) . . ?
O4 C13 C12 122.41(16) . . ?
C14 C13 C12 114.57(15) . . ?
C13 C14 C9 108.36(14) . . ?
C13 C14 H14A 110.0 . . ?
C9 C14 H14A 110.0 . . ?
C13 C14 H14B 110.0 . . ?
C9 C14 H14B 110.0 . . ?
H14A C14 H14B 108.4 . . ?
C7 C15 H15A 109.5 . . ?
C7 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C7 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C12 C16 H16A 109.5 . . ?
C12 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C12 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O5 C17 C18 59.30(11) . . ?
O5 C17 C11 118.21(15) . . ?
C18 C17 C11 121.08(16) . . ?
O5 C17 H17 115.5 . . ?
C18 C17 H17 115.5 . . ?
C11 C17 H17 115.5 . . ?
O5 C18 C17 59.73(11) . . ?
O5 C18 C19 117.77(15) . . ?
C17 C18 C19 121.58(17) . . ?
O5 C18 H18 115.4 . . ?
C17 C18 H18 115.4 . . ?
C19 C18 H18 115.4 . . ?
O6 C19 C18 109.54(14) . . ?
O6 C19 C20 112.22(15) . . ?
C18 C19 C20 112.02(15) . . ?
O6 C19 H19 107.6 . . ?
C18 C19 H19 107.6 . . ?
C20 C19 H19 107.6 . . ?
C21 C20 C19 122.84(17) . . ?
C21 C20 H20 118.6 . . ?
C19 C20 H20 118.6 . . ?
C20 C21 C22 124.78(18) . . ?
C20 C21 H21 117.6 . . ?
C22 C21 H21 117.6 . . ?
O7 C22 C21 112.23(16) . . ?
O7 C22 C24 107.58(16) . . ?
C21 C22 C24 106.38(17) . . ?
O7 C22 C23 108.46(18) . . ?
C21 C22 C23 111.03(16) . . ?
C24 C22 C23 111.13(17) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O8 C24 O9 124.1(2) . . ?
O8 C24 C22 122.5(2) . . ?
O9 C24 C22 113.36(17) . . ?
O9 C25 H25A 109.5 . . ?
O9 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
O9 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C2 C26 H26A 120.0 . . ?
C2 C26 H26B 120.0 . . ?
H26A C26 H26B 120.0 . . ?
C4 O3 C5 117.08(14) . . ?
C18 O5 C17 60.96(11) . . ?
C19 O6 H6 109.5 . . ?
C22 O7 H7A 109.5 . . ?
C24 O9 C25 115.03(16) . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C26 C2 C3 C4 103.1(2) . . . . ?
C1 C2 C3 C4 -79.0(2) . . . . ?
C2 C3 C4 O2 -14.0(3) . . . . ?
C2 C3 C4 O3 168.27(17) . . . . ?
O3 C5 C6 C7 -169.50(15) . . . . ?
C10 C5 C6 C7 -51.7(2) . . . . ?
C5 C6 C7 C8 52.1(2) . . . . ?
C5 C6 C7 C15 174.69(15) . . . . ?
C15 C7 C8 C9 -177.97(15) . . . . ?
C6 C7 C8 C9 -55.4(2) . . . . ?
C7 C8 C9 C14 -176.18(15) . . . . ?
C7 C8 C9 C10 59.3(2) . . . . ?
O3 C5 C10 C9 168.17(13) . . . . ?
C6 C5 C10 C9 50.8(2) . . . . ?
O3 C5 C10 C11 -69.13(18) . . . . ?
C6 C5 C10 C11 173.49(15) . . . . ?
C8 C9 C10 C5 -54.92(19) . . . . ?
C14 C9 C10 C5 -178.32(15) . . . . ?
C8 C9 C10 C11 -179.76(14) . . . . ?
C14 C9 C10 C11 56.84(18) . . . . ?
C5 C10 C11 C17 58.0(2) . . . . ?
C9 C10 C11 C17 -179.90(14) . . . . ?
C5 C10 C11 C12 179.43(15) . . . . ?
C9 C10 C11 C12 -58.52(18) . . . . ?
C17 C11 C12 C13 -175.79(14) . . . . ?
C10 C11 C12 C13 58.72(18) . . . . ?
C17 C11 C12 C16 -51.7(2) . . . . ?
C10 C11 C12 C16 -177.15(15) . . . . ?
C16 C12 C13 O4 -12.5(2) . . . . ?
C11 C12 C13 O4 113.93(18) . . . . ?
C16 C12 C13 C14 172.34(15) . . . . ?
C11 C12 C13 C14 -61.27(19) . . . . ?
O4 C13 C14 C9 -115.68(19) . . . . ?
C12 C13 C14 C9 59.5(2) . . . . ?
C8 C9 C14 C13 179.64(15) . . . . ?
C10 C9 C14 C13 -55.34(19) . . . . ?
C10 C11 C17 O5 -83.82(19) . . . . ?
C12 C11 C17 O5 153.76(15) . . . . ?
C10 C11 C17 C18 -153.15(16) . . . . ?
C12 C11 C17 C18 84.4(2) . . . . ?
C11 C17 C18 O5 106.50(18) . . . . ?
O5 C17 C18 C19 105.93(18) . . . . ?
C11 C17 C18 C19 -147.56(16) . . . . ?
O5 C18 C19 O6 47.0(2) . . . . ?
C17 C18 C19 O6 -22.8(2) . . . . ?
O5 C18 C19 C20 -78.2(2) . . . . ?
C17 C18 C19 C20 -148.02(17) . . . . ?
O6 C19 C20 C21 -0.4(3) . . . . ?
C18 C19 C20 C21 123.31(19) . . . . ?
C19 C20 C21 C22 174.57(18) . . . . ?
C20 C21 C22 O7 6.0(3) . . . . ?
C20 C21 C22 C24 -111.4(2) . . . . ?
C20 C21 C22 C23 127.5(2) . . . . ?
O7 C22 C24 O8 -3.5(3) . . . . ?
C21 C22 C24 O8 117.0(2) . . . . ?
C23 C22 C24 O8 -122.0(2) . . . . ?
O7 C22 C24 O9 178.93(16) . . . . ?
C21 C22 C24 O9 -60.6(2) . . . . ?
C23 C22 C24 O9 60.3(2) . . . . ?
O2 C4 O3 C5 0.4(3) . . . . ?
C3 C4 O3 C5 178.18(14) . . . . ?
C6 C5 O3 C4 -89.36(17) . . . . ?
C10 C5 O3 C4 148.78(14) . . . . ?
C19 C18 O5 C17 -112.20(19) . . . . ?
C11 C17 O5 C18 -111.28(19) . . . . ?
O8 C24 O9 C25 -2.3(3) . . . . ?
C22 C24 O9 C25 175.29(16) . . . . ?

_refine_diff_density_max         0.239
_refine_diff_density_min         -0.358
_refine_diff_density_rms         0.094



