Direct Catalytic Asymmetric Michael Reaction of Hydroxyketones: Asymmetric Zn Catalysis with a Et2Zn/Linked-BINOL Complex
Shinji Harada; Naoya Kumagai; Tomofumi Kinoshita; Shigeki Matsunaga; Masakatsu Shibasaki; Journal of the American Chemical Society 125 (2003) 2582–2590; doi:10.1021/ja028928+

data_4113520
_publ_section_title
;
 Direct Catalytic Asymmetric Michael Reaction of Hydroxyketones:
 Asymmetric Zn Catalysis with a Et2Zn/Linked-BINOL Complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2582
_journal_page_last               2590
_journal_paper_doi               10.1021/ja028928+
_journal_volume                  125
_journal_year                    2003
_chemical_formula_moiety         'C24 H21 Cl O4 '
_chemical_formula_sum            'C24 H21 Cl O4'
_chemical_formula_weight         408.88
_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                   18.191(1)
_cell_length_b                   18.649(1)
_cell_length_c                   6.0329(3)
_cell_measurement_reflns_used    15249
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.6
_cell_volume                     2046.62(19)
_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    SIR97
_diffrn_measured_fraction_theta_full 0.9993
_diffrn_measured_fraction_theta_max 0.9993
_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  0.029
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
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_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.214
_exptl_absorpt_correction_T_max  0.979
_exptl_absorpt_correction_T_min  0.608
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_description       block
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_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.26
_refine_diff_density_min         -0.27
_refine_ls_abs_structure_Flack   1.1(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.524
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     343
_refine_ls_number_reflns         2697
_refine_ls_R_factor_gt           0.0281
_refine_ls_shift/su_max          0.1537
_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         0.0704
_reflns_number_gt                1195
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja0289282B-6_s2_2.cif
_cod_data_source_block           020919SH
_cod_original_cell_volume        2046.7(2)
_cod_original_sg_symbol_H-M      'P 21 21 21 '
_cod_original_formula_sum        'C24 H21 Cl O4 '
_cod_database_code               4113520