Chelation-assisted Pd-catalysed ortho-selective oxidative C-H/C-H cross-coupling of aromatic carboxylic acids with arenes and intramolecular Friedel-Crafts acylation: one-pot formation of fluorenones.
Sun, Denan; Li, Bijin; Lan, Jingbo; Huang, Quan; You, Jingsong; Chemical communications (Cambridge, England) 52 (2016) 3635–3638; doi:10.1039/c6cc00103c

data_7118662
_publ_section_title
;
 Chelation-assisted Pd-catalysed ortho-selective oxidative C-H/C-H
 cross-coupling of aromatic carboxylic acids with arenes and
 intramolecular Friedel-Crafts acylation: one-pot formation of
 fluorenones.
;
_journal_issue                   18
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              3635
_journal_page_last               3638
_journal_paper_doi               10.1039/c6cc00103c
_journal_volume                  52
_journal_year                    2016
_chemical_formula_moiety         'C16 H14 O2'
_chemical_formula_sum            'C16 H14 O2'
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_space_group_name_Hall           '-C 2yc'
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Olex2 1.2
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2015-12-23 deposited with the CCDC.
2016-01-28 downloaded from the CCDC.
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
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omega____ theta____ kappa____ phi______ frames
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  2 omega  -31.00   63.00   1.0000    1.0000
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  3 omega   20.00  104.00   1.0000    1.0000
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  7 omega   91.00  176.00   1.0000    1.2600
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  8 omega   38.00   91.00   1.0000    1.2600
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  9 omega   38.00   91.00   1.0000    1.2600
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 10 omega   39.00  109.00   1.0000    1.2600
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 11 omega   40.00   98.00   1.0000    1.2600
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 12 omega   38.00   91.00   1.0000    1.2600
omega____ theta____ kappa____ phi______ frames
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 13 omega   39.00  109.00   1.0000    1.2600
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 15 omega  -31.00   53.00   1.0000    1.0000
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CrysAlisPro, Agilent Technologies,
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Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            'clear orangish orange'
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'w=1/[\s^2^(Fo^2^)+(0.1122P)^2^+1.3254P] where P=(Fo^2^+2Fc^2^)/3'
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'Adding full bibliography for 7118662--7118663.cif.'
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;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C008(H008), C00C(H00C), C00D(H00D), C00F(H00F), C00G(H00G)
2.b Idealised Me refined as rotating group:
 C00E(H00A,H00B,H00E), C00H(H00H,H00I,H00J), C00I(H00K,H00L,H00M)
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_shelx_res_checksum              6276
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