p-TSA/Base-Promoted Propargylation/Cyclization of β-Ketothioamides for the Regioselective Synthesis of Highly Substituted (Hydro)thiophenes.
Nandi, Ganesh Chandra; Singh, Maya Shankar; The Journal of organic chemistry 81 (2016) 5824–5836; doi:10.1021/acs.joc.6b00342

data_4036709
_publ_section_title
;
 p-TSA/Base-Promoted Propargylation/Cyclization of \b-Ketothioamides for
 the Regioselective Synthesis of Highly Substituted (Hydro)thiophenes.
;
_journal_issue                   14
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              5824
_journal_page_last               5836
_journal_paper_doi               10.1021/acs.joc.6b00342
_journal_volume                  81
_journal_year                    2016
_chemical_formula_sum            'C32 H25 N O S'
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_atom_sites_solution_hydrogens   geom
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.2080
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_diffrn_reflns_point_group_measured_fraction_full 0.950
_diffrn_reflns_point_group_measured_fraction_max 0.948
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         3.034
_exptl_absorpt_coefficient_mu    0.152
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_exptl_crystal_F_000             496
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         4501
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_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0976P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1566
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_reflns_number_gt                1576
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_reflns_threshold_expression     'I > 2\s(I)'
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