Unexpectedly Stable (Chlorocarbonyl)(N-ethoxycarbonylcarbamoyl)disulfane, and Related Compounds That Model the Zumach-Weiss-Kühle (ZWK) Reaction for Synthesis of 1,2,4-Dithiazolidine-3,5-diones.
Barany, George; Britton, Doyle; Chen, Lin; Hammer, Robert P.; Henley, Matthew J.; Schrader, Alex M.; Young, Jr, Victor G; The Journal of organic chemistry 80 (2015) 11313–11321; doi:10.1021/acs.joc.5b01826

data_4036405
_publ_section_title
;
 Unexpectedly Stable (Chlorocarbonyl)(N-ethoxycarbonylcarbamoyl)disulfane,
 and Related Compounds That Model the Zumach-Weiss-K\"uhle (ZWK) Reaction
 for Synthesis of 1,2,4-Dithiazolidine-3,5-diones.
;
_journal_issue                   22
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              11313
_journal_page_last               11321
_journal_paper_doi               10.1021/acs.joc.5b01826
_journal_volume                  80
_journal_year                    2015
_chemical_formula_moiety         'C12 H14 N2 O4 S2'
_chemical_formula_sum            'C12 H14 N2 O4 S2'
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_diffrn_measurement_method       '\f and \w scans'
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_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.476
_exptl_crystal_description       Needle
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_exptl_crystal_size_mid          0.140
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_exptl_transmission_factor_min   0.5411
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     183
_refine_ls_number_reflns         2853
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0327
_refine_ls_R_factor_gt           0.0313
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0385P)^2^+0.4407P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0828
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_reflns_number_gt                2713
_reflns_number_total             2853
_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_estimated_absorpt_t_min   0.536
_shelx_estimated_absorpt_t_max   0.675
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_shelx_hkl_checksum              5121