Highly Efficient Access to Iminoisocoumarins and α-Iminopyrones via AgOTf-Catalyzed Intramolecular Enyne-Amide Cyclization
Ming Bian; Weijun Yao; Hanfeng Ding; Cheng Ma; Journal of Organic Chemistry 75 (2010) 269–272; doi:10.1021/jo9023478

data_4025144
_publ_section_title
;
 Highly Efficient Access to Iminoisocoumarins and \a-Iminopyrones via
 AgOTf-Catalyzed Intramolecular Enyne-Amide Cyclization
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              269
_journal_page_last               272
_journal_paper_doi               10.1021/jo9023478
_journal_volume                  75
_journal_year                    2010
_chemical_formula_moiety         'C21 H15 N O '
_chemical_formula_sum            'C21 H15 N O'
_chemical_formula_weight         297.36
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             2006-04-28
_audit_creation_method           'by CrystalStructure 3.7.0'
_cell_angle_alpha                90.0000
_cell_angle_beta                 91.800(19)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   18.464(7)
_cell_length_b                   8.956(3)
_cell_length_c                   18.795(9)
_cell_measurement_reflns_used    10438
_cell_measurement_temperature    298(1)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     3106(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.026
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            14443
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.078
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.271
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             1248.00
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.22
_refine_diff_density_min         -0.17
_refine_ls_extinction_coef       331(19)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     209
_refine_ls_number_reflns         3565
_refine_ls_R_factor_gt           0.0345
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0001Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0695
_reflns_number_gt                2074
_reflns_number_total             3565
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo9023478_si_001.cif
_cod_data_source_block           '_ywj01b'
_cod_original_cell_volume        3107(2)
_cod_original_formula_sum        'C21 H15 N O '
_cod_database_code               4025144