One-Pot Synthesis of Nitrogen Heterocycles Initiated by Regio- and Diastereoselective Carbon-Carbon Bond Formation of Bifunctional Carbonyl Compounds
Ikuya Shibata; Hirofumi Kato; Nobuaki Kanazawa; Makoto Yasuda; Akio Baba; Journal of the American Chemical Society 126 (2004) 466–467; doi:10.1021/ja038712n

data_4112138
_publ_contact_author_address
;
Department of Molecular Chemistry, Science and Technology Center for Atoms, 
Molecules and Ions Control, 
Graduate School of Engineering
Osaka University
  2-1 Yamadaoka
  Suita Osaka 565-0871
  Japan
;
_publ_contact_author_email       ' baba@ap.chem.eng.osaka-u.ac.jp'
_publ_contact_author_fax         ' 81(6)68797387 '
_publ_contact_author_name        ' Dr. Akio Baba'
_publ_contact_author_phone       ' 81(6)687973876'
_publ_section_title
;
 One-Pot Synthesis of Nitrogen Heterocycles Initiated by Regio- and
 Diastereoselective Carbon-Carbon Bond Formation of Bifunctional Carbonyl
 Compounds
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              466
_journal_page_last               467
_journal_paper_doi               10.1021/ja038712n
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C21 H20 Cl N O5 S '
_chemical_formula_sum            'C21 H20 Cl N O5 S'
_chemical_formula_weight         433.91
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.18(3)
_cell_angle_beta                 114.18(2)
_cell_angle_gamma                69.15(3)
_cell_formula_units_Z            2
_cell_length_a                   10.425(4)
_cell_length_b                   12.133(4)
_cell_length_c                   9.693(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.7
_cell_volume                     1030.5(7)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 1.0021
_diffrn_measured_fraction_theta_max 1.0021
_diffrn_measurement_device_type  'Rigaku AFC5R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.015
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            5011
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        1.08
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.319
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.938
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.398
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.600
_exptl_crystal_size_min          0.400
_refine_diff_density_max         0.28
_refine_diff_density_min         -0.45
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.039
_refine_ls_number_parameters     305
_refine_ls_number_reflns         3091
_refine_ls_R_factor_gt           0.0605
_refine_ls_shift/su_max          0.7569
_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         0.1491
_reflns_number_gt                3082
_reflns_number_total             4748
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja038712nsi20031127_030438_1.cif
_cod_data_source_block           3b
_cod_original_cell_volume        1030.5(6)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C21 H20 Cl N O5 S '
_cod_database_code               4112138