Magnesium–Tartramide Complex Mediated Asymmetric Strecker-Type Reaction of Nitrones Using Cyanohydrin
Sakai, Takahiro; Soeta, Takahiro; Endo, Kohei; Fujinami, Shuhei; Ukaji, Yutaka; Organic Letters 15 (2013) 2422–; doi:10.1021/ol400898p

data_1512054
_publ_section_title
;
 Magnesium--Tartramide Complex Mediated Asymmetric Strecker-Type Reaction
 of Nitrones Using Cyanohydrin
;
_journal_issue                   10
_journal_name_full               'Organic Letters'
_journal_page_first              2422
_journal_paper_doi               10.1021/ol400898p
_journal_volume                  15
_journal_year                    2013
_chemical_absolute_configuration Flack
_chemical_formula_moiety         'C15 H13 Br N2 O '
_chemical_formula_sum            'C15 H13 Br N2 O'
_chemical_formula_weight         317.18
_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'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.546(2)
_cell_length_b                   12.028(5)
_cell_length_c                   25.78(1)
_cell_measurement_reflns_used    4568
_cell_measurement_temperature    123.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     1409.6(10)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      123.2
_diffrn_detector_area_resol_mean 14.46
_diffrn_measured_fraction_theta_full 0.9922
_diffrn_measured_fraction_theta_max 0.9922
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.075
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            1922
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    2.918
_exptl_absorpt_correction_T_max  0.864
_exptl_absorpt_correction_T_min  0.471
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.495
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             640.00
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.24
_refine_diff_density_min         -0.58
_refine_ls_abs_structure_details Flack
_refine_ls_abs_structure_Flack   0.03(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     173
_refine_ls_number_reflns         3088
_refine_ls_R_factor_gt           0.0615
_refine_ls_shift/su_max          0.0018
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0796
_reflns_number_gt                1671
_reflns_number_total             1900
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ol400898p_si_002.cif
_cod_data_source_block           ukaji-3g
_cod_original_cell_volume        1409(1)
_cod_original_sg_symbol_H-M      'P 21 21 21   '
_cod_original_formula_sum        'C15 H13 Br N2 O '
_cod_database_code               1512054