Direct Catalytic Asymmetric Aldol Reaction of Hydroxyketones: Asymmetric Zn Catalysis with a Et2Zn/Linked-BINOL Complex
Naoya Kumagai; Shigeki Matsunaga; Tomofumi Kinoshita; Shinji Harada; Shigemitsu Okada; Shigeru Sakamoto; Kentaro Yamaguchi; Masakatsu Shibasaki; Journal of the American Chemical Society 125 (2003) 2169–2178; doi:10.1021/ja028926p

data_4113481
_publ_section_title
;
 Direct Catalytic Asymmetric Aldol Reaction of Hydroxyketones: Asymmetric
 Zn Catalysis with a Et2Zn/Linked-BINOL Complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2169
_journal_page_last               2178
_journal_paper_doi               10.1021/ja028926p
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'C17 H16 O4'
_chemical_formula_weight         284.31
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                90.070(5)
_cell_angle_beta                 90.132(3)
_cell_angle_gamma                90.096(4)
_cell_formula_units_Z            4
_cell_length_a                   16.047(1)
_cell_length_b                   19.510(2)
_cell_length_c                   4.8643(3)
_cell_measurement_reflns_used    6524
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.5
_cell_volume                     1522.9(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SAPI91
_diffrn_measured_fraction_theta_full 0.8709
_diffrn_measured_fraction_theta_max 0.8709
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.079
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            7674
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.088
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.240
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.34
_refine_diff_density_min         -0.34
_refine_ls_abs_structure_Flack   3.30253
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.730
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     1050
_refine_ls_number_reflns         6085
_refine_ls_R_factor_gt           0.0822
_refine_ls_shift/su_max          3.5909
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2184
_reflns_number_gt                4273
_reflns_number_total             6093
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja028926p-7_s2.cif
_cod_data_source_block           crystal9
_cod_original_sg_symbol_H-M      'P 1 '
_cod_original_formula_sum        'C17 H16 O4 '
_cod_database_code               4113481