Direct Catalytic Asymmetric Addition of Allylic Cyanides to Ketoimines
Ryo Yazaki; Tatsuya Nitabaru; Naoya Kumagai; Masakatsu Shibasaki; Journal of the American Chemical Society 130 (2008) 14477–14479; doi:10.1021/ja806572b

data_4108615
_publ_section_title
;
 Direct Catalytic Asymmetric Addition of Allylic Cyanides to Ketoimines
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14477
_journal_page_last               14479
_journal_paper_doi               10.1021/ja806572b
_journal_volume                  130
_journal_year                    2008
_chemical_formula_moiety         'C24 H26 N2 O4 P '
_chemical_formula_sum            'C24 H26 N2 O4 P'
_chemical_formula_weight         437.45
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 97.636(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   20.3390(8)
_cell_length_b                   14.6476(7)
_cell_length_c                   16.2867(7)
_cell_measurement_reflns_used    11220
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      68.3
_cell_measurement_theta_min      3.7
_cell_volume                     4809.1(4)
_computing_cell_refinement       PROCESS
_computing_data_collection       PROCESS
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.191
_diffrn_reflns_limit_h_max       -100
_diffrn_reflns_limit_h_min       100
_diffrn_reflns_limit_k_max       -100
_diffrn_reflns_limit_k_min       100
_diffrn_reflns_limit_l_max       -100
_diffrn_reflns_limit_l_min       100
_diffrn_reflns_theta_full        68.24
_diffrn_reflns_theta_max         68.24
_exptl_absorpt_coefficient_mu    1.269
_exptl_absorpt_correction_T_max  0.467
_exptl_absorpt_correction_T_min  0.012
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.208
_exptl_crystal_description       block
_exptl_crystal_F_000             1848.00
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.60
_refine_diff_density_max         0.28
_refine_diff_density_min         0.00
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.141
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     283
_refine_ls_number_reflns         1965
_refine_ls_R_factor_gt           0.0662
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.2095
_reflns_number_gt                1491
_reflns_number_total             0
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja806572b_si_001.cif
_cod_data_source_block           '__08081804'
_cod_original_formula_sum        'C24 H26 N2 O4 P '
_cod_database_code               4108615