Efficient synthesis of optically active 4-nitro-cyclohexanones via bifunctional thiourea-base catalyzed double-Michael addition of nitromethane to dienones
Bin Wu; Guo-Gui Liu; Mei-Qiu Li; Yong Zhang; Shao-Yun Zhang; Jun-Ru Qiu; Xiao-Ping Xu; Shun-Jun Ji; Xing-Wang Wang; Chem.Commun. 47 (2011) 3992–; doi:10.1039/c0cc05418f

data_7106167
_publ_section_title
;
 Efficient synthesis of optically active 4-nitro-cyclohexanones via
 bifunctional thiourea-base catalyzed double-Michael addition of
 nitromethane to dienones
;
_journal_name_full               Chem.Commun.
_journal_page_first              3992
_journal_paper_doi               10.1039/c0cc05418f
_journal_volume                  47
_journal_year                    2011
_chemical_formula_moiety         'C36 H26 Cl8 N2 O6 '
_chemical_formula_sum            'C18 H13 Cl4 N O3'
_chemical_formula_weight         420.52
_chemical_name_common
'4-nitro-3,5-di(2,4-dichlorophenyl) cyclohexanone'
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.0000
_cell_angle_beta                 97.671(6)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   11.575(3)
_cell_length_b                   7.6295(19)
_cell_length_c                   21.699(6)
_cell_measurement_reflns_used    5077
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.1
_cell_volume                     1899.1(9)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.120
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            18600
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_exptl_absorpt_coefficient_mu    0.639
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.611
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.471
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             830.00
_exptl_crystal_size_max          0.75
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.00
_refine_diff_density_max         1.04
_refine_diff_density_min         -0.88
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   5.709
_refine_ls_number_parameters     209
_refine_ls_number_reflns         1486
_refine_ls_R_factor_gt           0.1503
_refine_ls_shift/su_max          0.0588
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.1494
_reflns_number_gt                1441
_reflns_number_total             3739
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c0cc05418f.txt
_cod_data_source_block           3n
_cod_original_cell_volume        1899.1(8)
_cod_original_formula_sum        'C36 H26 Cl8 N2 O6 '
_cod_database_code               7106167