Acidic and Basic Hydrolysis of an Optically Pure Spiro-λ4-sulfurane: Completely Opposite Stereochemical Outcome
Jian Zhang; Shinichi Saito; Toru Koizumi; Journal of the American Chemical Society 120 (1998) 1631–1632; doi:10.1021/ja973039l

data_4116689
_publ_contact_author
;
Toru Koizumi
2630 Sugitani, Toyama, Japan, 930
;
_publ_contact_author_email       ' trkoi@ms.toyama-mpu.ac.jp '
_publ_contact_author_fax         ' +81-764-34-5049 '
_publ_contact_author_phone       ' +81-764-34-2281 ext. 2655 '
_publ_section_title
;
 Acidic and Basic Hydrolysis of an Optically Pure Spiro-\l4-sulfurane:
 Completely Opposite Stereochemical Outcome
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1631
_journal_page_last               1632
_journal_paper_doi               10.1021/ja973039l
_journal_volume                  120
_journal_year                    1998
_chemical_formula_moiety         'C17 H22 O4 S '
_chemical_formula_sum            'C17 H22 O4 S'
_chemical_formula_weight         322.42
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_date             'Tue Jan  6 13:58:47 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.124(3)
_cell_length_b                   14.720(3)
_cell_length_c                   8.659(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      14.2
_cell_measurement_theta_min      11.8
_cell_volume                     1672.8(6)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SAPI91
_diffrn_ambient_temperature      293.2
_diffrn_measurement_device       'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.05858
_diffrn_orient_matrix_UB_12      0.01023
_diffrn_orient_matrix_UB_13      0.07177
_diffrn_orient_matrix_UB_21      0.00687
_diffrn_orient_matrix_UB_22      -0.06710
_diffrn_orient_matrix_UB_23      0.01477
_diffrn_orient_matrix_UB_31      0.04824
_diffrn_orient_matrix_UB_32      -0.00287
_diffrn_orient_matrix_UB_33      -0.08926
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_av_sigmaI/netI    0.080
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            2216
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         2.08
_diffrn_standards_decay_%        0.67
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.208
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.280
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             688.00
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_exptl_crystal_size_mid          0.200
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_refine_diff_density_max         0.22
_refine_diff_density_min         -0.17
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.830
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     199
_refine_ls_number_reflns         1464
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0419
_refine_ls_shift/esd_max         0.0034
_refine_ls_shift/esd_mean        0.0003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.0410
_reflns_number_observed          1464
_reflns_number_total             2216
_reflns_observed_criterion       >3.0sigma(I)
_cod_data_source_file            ja973039l_2.cif
_cod_data_source_block           4
_cod_original_cell_volume        1672.8(5)
_cod_original_sg_symbol_H-M      'P 21 21 21 '
_cod_original_formula_sum        'C17 H22 O4 S '
_cod_database_code               4116689