Synthesis of an Optically Active Al(salalen) Complex and Its Application to Catalytic Hydrophosphonylation of Aldehydes and Aldimines
Bunnai Saito; Hiromichi Egami; Tsutomu Katsuki; Journal of the American Chemical Society 129 (2007) 1978–1986; doi:10.1021/ja0651005

data_4109089
_publ_section_title
;
 Synthesis of an Optically Active Al(salalen) Complex and Its Application
 to Catalytic Hydrophosphonylation of Aldehydes and Aldimines
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1978
_journal_page_last               1986
_journal_paper_doi               10.1021/ja0651005
_journal_volume                  129
_journal_year                    2007
_chemical_formula_moiety         'C37 H56 Al Cl N2 O2 '
_chemical_formula_sum            'C37 H56 Al Cl N2 O2'
_chemical_formula_weight         623.30
_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                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   10.7603(3)
_cell_length_b                   16.7937(4)
_cell_length_c                   20.2847(5)
_cell_measurement_reflns_used    49763
_cell_measurement_temperature    183.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.0
_cell_volume                     3665.55(16)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 1.381
_diffrn_measured_fraction_theta_max 1.381
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.218
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            34517
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.160
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.129
_exptl_crystal_description       prism
_exptl_crystal_F_000             1352.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.67
_refine_diff_density_min         -0.52
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     417
_refine_ls_number_reflns         8393
_refine_ls_R_factor_gt           0.0672
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0344P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1756
_reflns_number_gt                6905
_reflns_number_total             34517
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja0651005si20060717_111800.cif
_cod_data_source_block           '_bunnaiAl_2_______________'
_cod_original_formula_sum        'C37 H56 Al Cl N2 O2 '
_cod_database_code               4109089