One-pot multistep synthesis of 4-acetoxy-2-amino-3-arylbenzofurans from 1-aryl-2-nitroethylenes and cyclohexane-1,3-diones.
Ishikawa, Teruhiko; Miyahara, Tadashi; Asakura, Mami; Higuchi, Shuichi; Miyauchi, Yayoi; Saito, Seiki; Organic letters 7 (2005) 1211–1214; doi:10.1021/ol047540b

data_1506468
_publ_section_title
;
 One-pot multistep synthesis of 4-acetoxy-2-amino-3-arylbenzofurans from
 1-aryl-2-nitroethylenes and cyclohexane-1,3-diones.
;
_journal_issue                   7
_journal_name_full               'Organic letters'
_journal_page_first              1211
_journal_page_last               1214
_journal_paper_doi               10.1021/ol047540b
_journal_volume                  7
_journal_year                    2005
_chemical_formula_moiety         'C17 H15 N O4 '
_chemical_formula_sum            'C17 H15 N O4'
_chemical_formula_weight         297.31
_chemical_melting_point          172.5(5)
_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                107.1(1)
_cell_angle_beta                 102.0(1)
_cell_angle_gamma                99.6(1)
_cell_formula_units_Z            2
_cell_length_a                   7.57(2)
_cell_length_b                   9.27(2)
_cell_length_c                   11.24(3)
_cell_measurement_reflns_used    2407
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      67.3
_cell_measurement_theta_min      5.5
_cell_volume                     715(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    DirectMethod
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9267
_diffrn_measured_fraction_theta_max 0.9267
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5419
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            15270
_diffrn_reflns_theta_full        68.24
_diffrn_reflns_theta_max         68.24
_exptl_absorpt_coefficient_mu    0.820
_exptl_absorpt_correction_T_max  0.921
_exptl_absorpt_correction_T_min  0.612
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.380
_exptl_crystal_description       block
_exptl_crystal_F_000             312.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.21
_refine_diff_density_min         -0.23
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.812
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     214
_refine_ls_number_reflns         1179
_refine_ls_R_factor_gt           0.0390
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0370
_reflns_number_gt                1179
_reflns_number_total             2426
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ol047540bsi20050209_034349.cif
_cod_data_source_block           '_Benzofuran-OMe______'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '172-173' was changed to '172.5(5)' -
the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        715(2)
_cod_original_formula_sum        'C17 H15 N O4 '
_cod_database_code               1506468