Use of Elemental Sulfur or Selenium in a Novel One-Pot Copper-Catalyzed Tandem Cyclization of Functionalized Ynamides Leading to Benzosultams.
Siva Reddy, Alla; Kumara Swamy, K. C.; Organic letters 17 (2015) 2996–2999; doi:10.1021/acs.orglett.5b01287

data_1520449
_publ_section_title
;
 Use of Elemental Sulfur or Selenium in a Novel One-Pot Copper-Catalyzed
 Tandem Cyclization of Functionalized Ynamides Leading to Benzosultams.
;
_journal_issue                   12
_journal_name_full               'Organic letters'
_journal_page_first              2996
_journal_page_last               2999
_journal_paper_doi               10.1021/acs.orglett.5b01287
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C16 H15 N O2 S Se'
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_symmetry_space_group_name_Hall  '-P 2ac 2ab'
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_cell_measurement_theta_min      3.4430
_cell_volume                     3024.24(13)
_computing_cell_refinement       'CrysAlisPro, Oxford Diffraction Ltd.'
_computing_data_collection       'CrysAlisPro, Oxford Diffraction Ltd.'
_computing_data_reduction        'CrysAlisPro, Oxford Diffraction Ltd.'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 16.3291
_diffrn_measured_fraction_theta_full 'ACTA 50'
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_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0226
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_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -8
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_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -32
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_diffrn_reflns_theta_full        'ACTA 50'
_diffrn_reflns_theta_max         71.83
_diffrn_reflns_theta_min         5.56
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 'not applicable'
_diffrn_standards_interval_time  'not applicable'
_diffrn_standards_number         'not applicable'
_exptl_absorpt_coefficient_mu    4.682
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.35139
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrysAlisPro, Oxford Diffraction Ltd.'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.16
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_refine_diff_density_max         0.387
_refine_diff_density_min         -0.747
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     192
_refine_ls_number_reflns         2900
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0425
_refine_ls_R_factor_gt           0.0404
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0740P)^2^+1.1223P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1104
_refine_ls_wR_factor_ref         0.1125
_reflns_number_gt                2711
_reflns_number_total             2900
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol5b01287_si_002.cif
_cod_data_source_block           compound-5a
_cod_depositor_comments
'Adding full bibliography for 1520446--1520450.cif.'
_cod_original_cell_volume        3024.25(14)
_cod_database_code               1520449