Aerobic Oxidative Amidation of Aromatic and Cinnamic Aldehydes with Secondary Amines by CuI/2-Pyridonate Catalytic System
Mingwen Zhu; Ken-ichi Fujita; Ryohei Yamaguchi; Journal of Organic Chemistry 77 (2012) 9102–9109; doi:10.1021/jo301553v

data_4027593
_publ_contact_author_address     'Kyoto University'
_publ_contact_author_email       zhumingwen2001@yahoo.co.jp
_publ_contact_author_fax         'ENTER FAX NUMBER'
_publ_contact_author_name        'Mingwen Zhu'
_publ_contact_author_phone       075-753-6837
_publ_section_title
;
 Aerobic Oxidative Amidation of Aromatic and Cinnamic Aldehydes with
 Secondary Amines by CuI/2-Pyridonate Catalytic System
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9102
_journal_page_last               9109
_journal_paper_doi               10.1021/jo301553v
_journal_volume                  77
_journal_year                    2012
_chemical_formula_moiety         'C20 H44 Cu4 I4 N4 '
_chemical_formula_sum            'C20 H44 Cu4 I4 N4'
_chemical_formula_weight         1102.40
_space_group_IT_number           86
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      86
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_audit_creation_date             2012-06-07
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   14.6652(5)
_cell_length_b                   14.6652(5)
_cell_length_c                   7.5699(3)
_cell_measurement_reflns_used    14466
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.0
_cell_volume                     1628.04(10)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      173.1
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.054
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            15374
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_exptl_absorpt_coefficient_mu    6.387
_exptl_absorpt_correction_T_max  0.056
_exptl_absorpt_correction_T_min  0.037
_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    2.249
_exptl_crystal_description       block
_exptl_crystal_F_000             1040.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.45
_refine_diff_density_max         2.83
_refine_diff_density_min         -0.93
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     84
_refine_ls_number_reflns         1637
_refine_ls_R_factor_gt           0.0320
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[1.0000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0337
_reflns_number_gt                1631
_reflns_number_total             1860
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo301553v_si_002.cif
_cod_data_source_block           '_shu47'
_cod_original_cell_volume        1628.04(9)
_cod_original_sg_symbol_H-M      'P 42/n'
_cod_original_formula_sum        'C20 H44 Cu4 I4 N4 '
_cod_database_code               4027593