Cycloartane glycosides from Sutherlandia frutescens.
Fu, Xiang; Li, Xing-Cong; Smillie, Troy J.; Carvalho, Paulo; Mabusela, Wilfred; Syce, James; Johnson, Quinton; Folk, William; Avery, Mitchell A.; Khan, Ikhlas A.; Journal of natural products 71 (2008) 1749–1753; doi:10.1021/np800328r

data_1504464
_publ_section_title
;
 Cycloartane glycosides from Sutherlandia frutescens.
;
_journal_issue                   10
_journal_name_full               'Journal of natural products'
_journal_page_first              1749
_journal_page_last               1753
_journal_paper_doi               10.1021/np800328r
_journal_volume                  71
_journal_year                    2008
_chemical_formula_sum            'C36 H60 O10'
_chemical_formula_weight         652.84
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.7850(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.4595(2)
_cell_length_b                   6.78720(10)
_cell_length_c                   20.1461(3)
_cell_measurement_temperature    296(2)
_cell_volume                     1779.46(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0661
_diffrn_reflns_av_sigmaI/netI    0.0569
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            24770
_diffrn_reflns_theta_full        68.27
_diffrn_reflns_theta_max         68.27
_diffrn_reflns_theta_min         3.40
_exptl_absorpt_coefficient_mu    0.710
_exptl_absorpt_correction_T_max  0.9324
_exptl_absorpt_correction_T_min  0.8829
_exptl_crystal_density_diffrn    1.218
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             712
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.198
_refine_diff_density_min         -0.220
_refine_diff_density_rms         0.042
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.06(16)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     446
_refine_ls_number_reflns         6231
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0669
_refine_ls_R_factor_gt           0.0442
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0406P)^2^+0.2901P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0840
_refine_ls_wR_factor_ref         0.0911
_reflns_number_gt                4954
_reflns_number_total             6231
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            np800328r_si_002.cif
_cod_data_source_block           xfu_46a
_cod_database_code               1504464