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_7231853
_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            'C15 H26 O3'
_chemical_formula_weight         254.36
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-05-30 deposited with the CCDC.
2018-11-12 downloaded from the CCDC.
;
_cell_angle_alpha                74.472(6)
_cell_angle_beta                 81.297(6)
_cell_angle_gamma                70.974(6)
_cell_formula_units_Z            2
_cell_length_a                   6.9631(10)
_cell_length_b                   10.2646(14)
_cell_length_c                   11.2511(15)
_cell_measurement_reflns_used    9964
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      68.45
_cell_measurement_theta_min      4.09
_cell_volume                     730.66(18)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0435
_diffrn_reflns_av_unetI/netI     0.0438
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            15859
_diffrn_reflns_point_group_measured_fraction_full 0.955
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.490
_diffrn_reflns_theta_min         4.088
_exptl_absorpt_coefficient_mu    0.623
_exptl_crystal_density_diffrn    1.156
_exptl_crystal_description       block
_exptl_crystal_F_000             280
_refine_diff_density_max         0.117
_refine_diff_density_min         -0.119
_refine_diff_density_rms         0.030
_refine_ls_abs_structure_details
;
 Flack x determined using 1957 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.13(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     338
_refine_ls_number_reflns         5123
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0447
_refine_ls_R_factor_gt           0.0382
_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^)+(0.0405P)^2^+0.0878P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0908
_refine_ls_wR_factor_ref         0.0955
_reflns_Friedel_coverage         0.914
_reflns_Friedel_fraction_full    0.913
_reflns_Friedel_fraction_max     0.908
_reflns_number_gt                4571
_reflns_number_total             5123
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8ra08125e2.cif
_cod_data_source_block           cu_20160229B_0m_a
_cod_database_code               7231853
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              3090