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_1520446
_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 S2'
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_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      293(2)
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_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       '\w scans'
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_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 'not applicable'
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_diffrn_standards_number         'not applicable'
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_exptl_absorpt_correction_T_min  0.78395
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrysAlisPro, Oxford Diffraction Ltd.'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.409
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.01(17)
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         3485
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_refine_ls_R_factor_all          0.1094
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1747P)^2^+0.6549P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2179
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_reflns_number_total             3485
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol5b01287_si_002.cif
_cod_data_source_block           compound-2a
_cod_depositor_comments
'Adding full bibliography for 1520446--1520450.cif.'
_cod_original_cell_volume        2991.7(5)
_cod_database_code               1520446