9-Methoxy-6a,11a-dimethyl-6a,11a-dihydro-6<i>H</i>-1-benzofuro[3,2-<i>c</i>]chromen-3-ol from <i>Dalbergia oliveri</i>
Deesamer, Sujittra; Chavasiri, Warinthorn; Chaichit, Narongsak; Muangsin, Nongnuj; Kokpol, Udom; Acta Crystallographica Section E 65 (2009) o2387–; doi:10.1107/S1600536809034485

data_2223492
_publ_section_title
;9-Methoxy-6a,11a-dimethyl-6a,11a-dihydro-6<i>H</i>-1-benzofuro[3,2-<i>c</i>]chromen-3-ol
 from <i>Dalbergia oliveri</i>
;
_journal_coeditor_code           NG2631
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2387
_journal_paper_doi               10.1107/S1600536809034485
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'C16 H14 O4'
_chemical_formula_moiety         'C16 H14 O4'
_chemical_formula_sum            'C16 H14 O4'
_chemical_formula_weight         270.27
_chemical_name_common
;
(+)-(6a<i>S</i>,11a<i>S</i>)-medicarpin
;
_chemical_name_systematic
;
9-Methoxy-6a,11a-dimethyl-6a,11a-dihydro-6<i>H</i>-\
1-benzofuro[3,2-<i>c</i>]chromen-3-ol from <i>Dalbergia</i> Oliveri
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 99.4820(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.6289(3)
_cell_length_b                   8.7963(4)
_cell_length_c                   11.3150(5)
_cell_measurement_temperature    293(2)
_cell_volume                     650.76(5)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'SMART (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.931
_diffrn_measurement_device_type  'Bruker SMART'
_diffrn_measurement_method       \w
_diffrn_radiation_source         Mo
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0132
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4783
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         30.41
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    0.099
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.379
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             284
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.158
_refine_diff_density_min         -0.183
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     182
_refine_ls_number_reflns         1949
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_gt           0.0335
_refine_ls_shift/su_max          0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0583P)^2^+0.0162P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0926
_reflns_number_gt                1949
_reflns_number_total             3198
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2631.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2223492
_cod_database_fobs_code          2223492