(5<i>R</i>,5a<i>R</i>,8a<i>R</i>,9<i>S</i>)-5-(3,4-dihydroxy-5-methoxyphenyl)-9-fluoro-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-<i>d</i>]-1,3-dioxol-6(5a<i>H</i>)-one acetone solvate
Zhou, Feng-Yan; Jian, Shan-Zhong; He, Xue-Ying; Wang, Yan-Guang; Acta Crystallographica Section E 61 (2005) o1374–o1376; doi:10.1107/S1600536805011189

data_2205731
_publ_section_title
;(5<i>R</i>,5a<i>R</i>,8a<i>R</i>,9<i>S</i>)-5-(3,4-dihydroxy-5-methoxyphenyl)-9-fluoro-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-<i>d</i>]-1,3-dioxol-6(5a<i>H</i>)-one
 acetone solvate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1374
_journal_page_last               o1376
_journal_paper_doi               10.1107/S1600536805011189
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'C20 H17 F O7, C3 H6 O'
_chemical_formula_moiety         'C20 H17 F O7, C3 H6 O'
_chemical_formula_sum            'C23 H23 F O8'
_chemical_formula_weight         446.43
_chemical_melting_point          261
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.373(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.1786(9)
_cell_length_b                   7.7058(3)
_cell_length_c                   14.0757(7)
_cell_measurement_reflns_used    7291
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.9
_cell_volume                     2078.41(16)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku,1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'CrystalStructure and  PLATON (Spek, 1998)'
_computing_structure_refinement  'CRYSTALS (Watkin <i>et al.</i>, 1996)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>, 1999)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9707
_diffrn_measured_fraction_theta_max 0.9726
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9048
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.113
_exptl_absorpt_correction_T_max  0.991
_exptl_absorpt_correction_T_min  0.923
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(Higashi, 1995)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             936.00
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.23
_refine_diff_density_min         -0.28
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     312
_refine_ls_number_reflns         2484
_refine_ls_R_factor_gt           0.0470
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[0.0025Fo^2^ + 1\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1320
_reflns_number_gt                2086
_reflns_number_total             2486
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            hg6158.cif
_cod_data_source_block           I
_cod_original_cell_volume        2078.4(2)
_cod_database_code               2205731
_cod_database_fobs_code          2205731