Ustalic acid as a toxin and related compounds from the mushroom Tricholoma ustale
Sano, Yosuke; Sayama, Kazutoshi; Arimoto, Yasushi; Inakuma, Takahiro; Kobayashi, Kimiko; Koshino, Hiroyuki; Kawagishi, Hirokazu; Chemical Communications  (2002) 1384–; doi:10.1039/b202607d

data_7111215
_publ_section_title
;
 Ustalic acid as a toxin and related compounds from the mushroom
 Tricholoma ustale
;
_journal_issue                   13
_journal_name_full               'Chemical Communications'
_journal_page_first              1384
_journal_paper_doi               10.1039/b202607d
_journal_year                    2002
_chemical_formula_moiety         'C19 H14 O6 '
_chemical_formula_sum            'C19 H14 O6'
_chemical_formula_weight         338.32
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.241(9)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.699(2)
_cell_length_b                   12.3295(8)
_cell_length_c                   20.909(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      42.3
_cell_measurement_theta_min      22.1
_cell_volume                     3271.3(6)
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9995
_diffrn_measured_fraction_theta_max 0.9995
_diffrn_measurement_device_type  'ENRAF-NONIUS CAD4'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.022
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            12624
_diffrn_reflns_theta_full        68.44
_diffrn_reflns_theta_max         68.44
_exptl_absorpt_coefficient_mu    0.868
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.932
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.374
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.360
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.140
_refine_diff_density_max         0.20
_refine_diff_density_min         -0.38
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.604
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     563
_refine_ls_number_reflns         6008
_refine_ls_R_factor_gt           0.0432
_refine_ls_shift/su_max          0.8824
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0625
_reflns_number_gt                4902
_reflns_number_total             6008
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b202607dsup1.cif
_cod_data_source_block           2(C19H14O6)
_cod_original_sg_symbol_H-M      P21/n
_cod_original_formula_sum        'C19 H14 O6 '
_cod_database_code               7111215