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_4116690
_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           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_date             'Tue Jan  6 13:58:05 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 103.04(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.961(4)
_cell_length_b                   10.993(3)
_cell_length_c                   10.765(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.3
_cell_volume                     802.5(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
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_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.07713
_diffrn_orient_matrix_UB_12      -0.06070
_diffrn_orient_matrix_UB_13      0.06050
_diffrn_orient_matrix_UB_21      0.03936
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_diffrn_orient_matrix_UB_23      0.06535
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_diffrn_orient_matrix_UB_32      -0.01766
_diffrn_orient_matrix_UB_33      0.03408
_diffrn_radiation_detector       'scintillation counter'
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_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_limit_h_max       0
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_diffrn_reflns_limit_l_min       -13
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_diffrn_reflns_reduction_process 'Lp corrections applied'
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_diffrn_standards_interval_count 150
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     199
_refine_ls_number_reflns         1138
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0408
_refine_ls_shift/esd_max         0.0215
_refine_ls_shift/esd_mean        0.0018
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
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_reflns_number_observed          1138
_reflns_number_total             1932
_reflns_observed_criterion       >3.0sigma(I)
_cod_data_source_file            ja973039l_3.cif
_cod_data_source_block           5
_cod_original_cell_volume        802.6(6)
_cod_original_sg_symbol_H-M      'P 21 '
_cod_original_formula_sum        'C17 H22 O4 S '
_cod_database_code               4116690