Tuning of tetrathiafulvalene properties: versatile synthesis of N-arylated monopyrrolotetrathiafulvalenes via Ullmann-type coupling reactions.
Azov, Vladimir A.; Janott, Diana; Schlüter, Dirk; Zeller, Matthias; Beilstein journal of organic chemistry 11 (2015) 860–868; doi:10.3762/bjoc.11.96

data_4031023
_publ_section_title
;
 Tuning of tetrathiafulvalene properties: versatile synthesis of
 N-arylated monopyrrolotetrathiafulvalenes via Ullmann-type coupling
 reactions.
;
_journal_name_full               'Beilstein journal of organic chemistry'
_journal_page_first              860
_journal_page_last               868
_journal_paper_doi               10.3762/bjoc.11.96
_journal_volume                  11
_journal_year                    2015
_chemical_formula_sum            'C22 H26 N2 S6'
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_chemical_name_systematic
;
2-[4,5-Bis(propylthio)-1,3-dithiol-2-ylidene]-
5-(4-dimethylaminophenyl)-5H-1,3-dithiolo[4,5-c]pyrrole 
;
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;  
SHELXL-2013 (Sheldrick, 2013), 
SHELXLE Rev645 (H\"ubschle et al., 2011)
;
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0283P)^2^+4.0153P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 4031020--4031023.cif.'
_cod_original_cell_volume        2339.98(16)
_cod_database_code               4031023
_shelx_estimated_absorpt_t_min   0.822
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_shelx_hkl_checksum              68986