Aryne generation vs. Truce-Smiles and fries rearrangements during the Kobayashi fragmentation reaction: a new bi-aryl synthesis.
Rasheed, O. K.; Hardcastle, I. R.; Raftery, J.; Quayle, P.; Organic & biomolecular chemistry 13 (2015) 8048–8052; doi:10.1039/c5ob01239b

data_7154539
_publ_section_title
;
 Aryne generation vs. Truce-Smiles and fries rearrangements during the
 Kobayashi fragmentation reaction: a new bi-aryl synthesis.
;
_journal_issue                   29
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              8048
_journal_page_last               8052
_journal_paper_doi               10.1039/c5ob01239b
_journal_volume                  13
_journal_year                    2015
_chemical_formula_sum            'C8 H6 F3 N O5 S'
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_symmetry_space_group_name_Hall  '-P 2yn'
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'Mon Jan 14 14:14:05 2013'
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
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2015-03-30 deposited with the CCDC.
2015-06-18 downloaded from the CCDC.
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
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  1 omega  117.71  267.71   1.5000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   73.8681   69.2087 100

  2 phi    115.70  294.13   1.4994    8.0000
omega____ theta____ kappa____ phi______ frames
 154.8688   35.0000   73.8681     -     119

  3 omega   93.57  234.57   1.5000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000   73.8681  304.2081 94

  4 phi     20.47  132.92   1.4994    8.0000
omega____ theta____ kappa____ phi______ frames
  30.9187  -65.0000   73.8681     -     75

  5 omega  107.54  190.04   1.5000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   73.8681   24.2088 55

  6 omega  -91.79   17.71   1.5000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      -70.0000   73.8681  129.2081 73

  7 omega   91.81  165.31   1.5000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       95.0000   73.8681  329.2081 49

  8 omega  166.71  267.21   1.5000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000   73.8681  314.2088 67

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CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            white
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_exptl_crystal_size_max          0.18
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'calc w=1/[\s^2^(Fo^2^)+(0.1201P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_depositor_comments
'Adding full bibliography for 7154537--7154542.cif.'
_cod_database_code               7154539