Insertion of arynes into thioureas: a new amidine synthesis.
Biswas, Kallolmay; Greaney, Michael F.; Organic letters 13 (2011) 4946–4949; doi:10.1021/ol202049v

data_1502469
_publ_section_title
;
 Insertion of arynes into thioureas: a new amidine synthesis.
;
_journal_issue                   18
_journal_name_full               'Organic letters'
_journal_page_first              4946
_journal_page_last               4949
_journal_paper_doi               10.1021/ol202049v
_journal_volume                  13
_journal_year                    2011
_chemical_compound_source        'Kallolmay Biswas'
_chemical_formula_moiety         'C21 H20 N2 S'
_chemical_formula_sum            'C21 H20 N2 S'
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.36 (release 02-08-2010 CrysAlis171 .NET)
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CrysAlisPro, Oxford Diffraction Ltd.,
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CrysAlisPro, Oxford Diffraction Ltd.,
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  6 omega   37.00  120.00   1.0000    1.5000
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omega____ theta____ kappa____ phi______ frames
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 12 omega   82.00  178.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
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 13 omega   38.00   65.00   1.0000    1.5000
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 15 omega   77.00  173.00   1.0000    1.5000
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 16 omega   37.00   63.00   1.0000    1.5000
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 17 omega  150.00  177.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
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 18 omega   50.00   77.00   1.0000    1.5000
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 19 omega   45.00  119.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
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 20 omega -119.00   -6.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
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 22 omega -119.00   -6.00   1.0000    1.5000
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 23 omega  -66.00   36.00   1.0000    1.5000
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 24 omega -129.00  -34.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
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 25 omega -140.00  -28.00   1.0000    1.5000
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 26 omega -140.00  -28.00   1.0000    1.5000
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 27 omega -140.00  -28.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
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 28 omega   81.00  178.00   1.0000    1.5000
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 29 omega   74.00  178.00   1.0000    1.5000
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 30 omega   47.00  178.00   1.0000    1.5000
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 31 omega   33.00   77.00   1.0000    1.5000
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 32 omega   74.00  178.00   1.0000    1.5000
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 33 omega   74.00  178.00   1.0000    1.5000
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    -      108.1200   77.0000 -120.0000 104

 34 omega   74.00  178.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      108.1200   77.0000  120.0000 104

 35 omega -129.00  -34.00   1.0000    1.5000
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 36 omega -119.00   -6.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -40.0664  -77.0000  120.0000 113

 37 omega   14.00  116.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
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 38 omega   14.00  116.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
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 39 omega   56.00  130.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       40.0664  179.0000  -60.0000 74

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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.36 (release 02-08-2010 CrysAlis171 .NET)
(compiled Aug  2 2010,13:00:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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'slow evaporation of hexane/DCM solution'
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'calc w=1/[\s^2^(Fo^2^)+(0.0656P)^2^+0.8824P] where P=(Fo^2^+2Fc^2^)/3'
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