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_1506467
_publ_section_title
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 One-pot multistep synthesis of 4-acetoxy-2-amino-3-arylbenzofurans from
 1-aryl-2-nitroethylenes and cyclohexane-1,3-diones.
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_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 O3 '
_chemical_formula_sum            'C17 H15 N O3'
_chemical_formula_weight         281.31
_chemical_melting_point          119.0(10)
_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                98.55(1)
_cell_angle_beta                 103.00(1)
_cell_angle_gamma                105.39(1)
_cell_formula_units_Z            2
_cell_length_a                   7.488(1)
_cell_length_b                   8.724(1)
_cell_length_c                   11.424(2)
_cell_measurement_reflns_used    3492
_cell_measurement_temperature    103.1
_cell_measurement_theta_max      71.2
_cell_measurement_theta_min      4.1
_cell_volume                     683.61(18)
_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 0.8303
_diffrn_measured_fraction_theta_max 0.8303
_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  0.050
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7056
_diffrn_reflns_theta_full        68.22
_diffrn_reflns_theta_max         68.22
_exptl_absorpt_coefficient_mu    0.769
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.367
_exptl_crystal_description       platelet
_exptl_crystal_F_000             296.00
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.34
_refine_diff_density_min         -0.33
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   12.989
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     205
_refine_ls_number_reflns         1694
_refine_ls_R_factor_gt           0.0680
_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         0.0670
_reflns_number_gt                1694
_reflns_number_total             2071
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ol047540bsi20050209_034324.cif
_cod_data_source_block           '_Benzofuran-Me_________'
_cod_depositor_comments
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The following automatic conversions were performed:

'_chemical_melting_point' value '118-120' was changed to '119.0(10)'
- the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
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_cod_original_cell_volume        683.6(2)
_cod_original_formula_sum        'C17 H15 N O3 '
_cod_database_code               1506467