Regioselective Decarboxylative Direct C-H Arylation of Boron Dipyrromethenes (BODIPYs) at 2,6-Positions: A Facile Access to a Diversity-Oriented BODIPY Library.
Luo, Liang; Wu, Di; Li, Wei; Zhang, Shuai; Ma, Yuanhong; Yan, Su; You, Jingsong; Organic letters 16 (2014) 6080–; doi:10.1021/ol502883x

data_1518297
_publ_section_title
;
 Regioselective Decarboxylative Direct C-H Arylation of Boron
 Dipyrromethenes (BODIPYs) at 2,6-Positions: A Facile Access to a
 Diversity-Oriented BODIPY Library.
;
_journal_issue                   23
_journal_name_full               'Organic letters'
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_journal_paper_doi               10.1021/ol502883x
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C21 H14 B F2 N3'
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omega____ theta____ kappa____ phi______ frames
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  9 omega   38.00   91.00   1.0000    5.0000
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 10 omega   39.00  109.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
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 11 omega   40.00   98.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
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 12 omega   40.00   98.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -45.0000 -120.0000 58

 13 omega   38.00   91.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000  120.0000 53

 14 omega   39.00  177.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
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 15 omega   87.00  178.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
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 16 omega   38.00  116.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
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 17 omega   40.00   98.00   1.0000    5.0000
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 18 omega   38.00   91.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
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 19 omega   41.00  126.00   1.0000    5.0000
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 20 omega   39.00  109.00   1.0000    5.0000
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 21 omega   38.00  116.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
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 22 omega   20.00  104.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       36.4171   57.0000 -120.0000 84

 23 omega   10.00  104.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
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 24 omega   20.00  104.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       36.4171   57.0000  150.0000 84

 25 omega   10.00  104.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       36.4171   77.0000 -180.0000 94

 26 omega  -35.00   66.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
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 27 omega   20.00  104.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
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 28 omega   20.00  104.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
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 29 omega   70.00  178.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
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Empirical absorption correction using spherical harmonics,
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;
1. Fixed Uiso
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