Cyperane and eudesmane-type sesquiterpenoids from Chinese liverwort and their anti-diabetic nephropathy potential
Zhang, Jiaozhen; Wang, Yongjie; Zhu, Rongxiu; Li, Yi; Li, Yuelan; Qiao, Yanan; Zhou, Jinchuan; Lou, Hongxiang; RSC Advances 8 (2018) 39091–; doi:10.1039/C8RA08125E

data_7231854
_publ_section_title
;
 Cyperane and eudesmane-type sesquiterpenoids from Chinese liverwort and
 their anti-diabetic nephropathy potential
;
_journal_issue                   68
_journal_name_full               'RSC Advances'
_journal_page_first              39091
_journal_paper_doi               10.1039/C8RA08125E
_journal_volume                  8
_journal_year                    2018
_chemical_formula_sum            'C30 H52 O6'
_chemical_formula_weight         508.71
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-08-21 deposited with the CCDC.
2018-11-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.025(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.0560(4)
_cell_length_b                   8.2456(4)
_cell_length_c                   17.0806(8)
_cell_measurement_reflns_used    3781
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      68.02
_cell_measurement_theta_min      5.10
_cell_volume                     1416.28(11)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0857
_diffrn_reflns_av_unetI/netI     0.1149
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            7730
_diffrn_reflns_point_group_measured_fraction_full 0.884
_diffrn_reflns_point_group_measured_fraction_max 0.883
_diffrn_reflns_theta_full        66.588
_diffrn_reflns_theta_max         66.588
_diffrn_reflns_theta_min         2.587
_exptl_absorpt_coefficient_mu    0.643
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.193
_exptl_crystal_description       block
_exptl_crystal_F_000             560
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_exptl_transmission_factor_max   0.7538
_exptl_transmission_factor_min   0.2339
_refine_diff_density_max         0.576
_refine_diff_density_min         -0.662
_refine_diff_density_rms         0.158
_refine_ls_abs_structure_details
;
 Flack x determined using 980 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.0(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.243
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     339
_refine_ls_number_reflns         4420
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.243
_refine_ls_R_factor_all          0.1536
_refine_ls_R_factor_gt           0.1302
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3005
_refine_ls_wR_factor_ref         0.3291
_reflns_Friedel_coverage         0.684
_reflns_Friedel_fraction_full    0.777
_reflns_Friedel_fraction_max     0.777
_reflns_number_gt                3373
_reflns_number_total             4420
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8ra08125e2.cif
_cod_data_source_block           cu_20160712_0m_a_a
_cod_database_code               7231854
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              69571