Mechanism of Preferential Enrichment, an Unusual Enantiomeric Resolution Phenomenon Caused by Polymorphic Transition during Crystallization of Mixed Crystals Composed of Two Enantiomers
Rui Tamura; Daisuke Fujimoto; Zsolt Lepp; Kentaro Misaki; Hideyuki Miura; Hiroki Takahashi; Takanori Ushio; Tadashi Nakai; Ken Hirotsu; Journal of the American Chemical Society 124 (2002) 13139–13153; doi:10.1021/ja020454r

data_4115236
_publ_section_title
;
 Mechanism of Preferential Enrichment, an Unusual Enantiomeric Resolution
 Phenomenon Caused by Polymorphic Transition during Crystallization of
 Mixed Crystals Composed of Two Enantiomers
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13139
_journal_page_last               13153
_journal_paper_doi               10.1021/ja020454r
_journal_volume                  124
_journal_year                    2002
_chemical_formula_moiety         'C23 H34 N2 O7 S '
_chemical_formula_sum            'C23 H34 N2 O7 S'
_chemical_formula_weight         482.59
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                99.301(7)
_cell_angle_beta                 102.637(10)
_cell_angle_gamma                89.263(9)
_cell_formula_units_Z            2
_cell_length_a                   9.4967(13)
_cell_length_b                   14.947(3)
_cell_length_c                   9.0688(13)
_cell_measurement_temperature    296.1
_cell_volume                     1239.3(4)
_computing_cell_refinement       Unknown
_computing_data_collection       Unknown
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.8894
_diffrn_measured_fraction_theta_max 0.8894
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5718
_diffrn_reflns_theta_full        28.75
_diffrn_reflns_theta_max         28.75
_exptl_absorpt_coefficient_mu    0.175
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
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_exptl_crystal_description       prism
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_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
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_refine_diff_density_min         -0.56
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    refU
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_refine_ls_number_reflns         1834
_refine_ls_R_factor_gt           0.0910
_refine_ls_shift/su_max          0.1930
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.010Fo^2^ + 1.000\s^2^(Fo)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1570
_reflns_number_gt                1834
_reflns_number_total             5717
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja020454r_2.cif
_cod_data_source_block           '_Template_texray.inf'
_cod_original_cell_volume        1239.3(3)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C23 H34 N2 O7 S '
_cod_database_code               4115236