Asymmetric Synthesis of syn- and anti-1,3-Amino Alcohols
Takuya Kochi; Tony P. Tang; Jonathan A. Ellman; Journal of the American Chemical Society 124 (2002) 6518–6519; doi:10.1021/ja026292g

data_4114859
_publ_section_title
;
 Asymmetric Synthesis of syn- and anti-1,3-Amino Alcohols
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6518
_journal_page_last               6519
_journal_paper_doi               10.1021/ja026292g
_journal_volume                  124
_journal_year                    2002
_chemical_formula_moiety         'C19 H24 N O3 S '
_chemical_formula_sum            'C19 H24 N O3 S'
_chemical_formula_weight         346.46
_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 15 10:53:09 2002'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.8532(8)
_cell_length_b                   11.640(2)
_cell_length_c                   26.638(3)
_cell_measurement_reflns_used    1602
_cell_measurement_temperature    133.2
_cell_measurement_theta_max      22.5
_cell_measurement_theta_min      1.8
_cell_volume                     1814.9(4)
_computing_cell_refinement       'Bruker SAINT v5.04'
_computing_data_collection       'Bruker SMART v5.0'
_computing_data_reduction        'Bruker SAINT v5.04'
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SIR97
_diffrn_measured_fraction_theta_full 1.6321
_diffrn_measured_fraction_theta_max 1.6321
_diffrn_measurement_device_type  'SMART CCD'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.059
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -30
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_diffrn_reflns_theta_full        24.73
_diffrn_reflns_theta_max         24.73
_exptl_absorpt_coefficient_mu    0.194
_exptl_absorpt_correction_T_max  0.971
_exptl_absorpt_correction_T_min  0.448
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.268
_exptl_crystal_description       needle
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_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.060
_refine_diff_density_max         0.30
_refine_diff_density_min         -0.39
_refine_ls_extinction_method     none
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_refine_ls_number_parameters     214
_refine_ls_number_reflns         1959
_refine_ls_R_factor_gt           0.0504
_refine_ls_shift/su_max          0.0003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
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_cod_data_source_block           syn-4e
_cod_original_sg_symbol_H-M      'P 21 21 21 '
_cod_original_formula_sum        'C19 H24 N O3 S '
_cod_database_code               4114859