Intramolecular cooperativity in frustrated Lewis pairs.
Körte, Leif A; Blomeyer, Sebastian; Heidemeyer, Shari; Mix, Andreas; Neumann, Beate; Mitzel, Norbert W.; Chemical communications (Cambridge, England) 52 (2016) 9949–9952; doi:10.1039/c6cc05228b

data_7124862
_publ_section_title
;
 Intramolecular cooperativity in frustrated Lewis pairs.
;
_journal_issue                   64
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              9949
_journal_page_last               9952
_journal_paper_doi               10.1039/c6cc05228b
_journal_volume                  52
_journal_year                    2016
_chemical_formula_moiety         'C36 H17 B2 F20 N'
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2016-01-25 deposited with the CCDC.
2016-06-28 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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O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
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_computing_publication_material
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O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
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SHELXL, G.M. Sheldrick, Acta Cryst.
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SHELXS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
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  6 omega   16.00   57.00   1.0000   47.5000
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  7 omega   43.00  125.00   1.0000  166.5000
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  8 omega   56.00  122.00   1.0000  166.5000
omega____ theta____ kappa____ phi______ frames
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  9 omega   52.00  151.00   1.0000  166.5000
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 10 omega  120.00  176.00   1.0000  166.5000
omega____ theta____ kappa____ phi______ frames
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 11 omega  103.00  137.00   1.0000  166.5000
omega____ theta____ kappa____ phi______ frames
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 12 omega   35.00  109.00   1.0000  166.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000  -94.0000  150.0000 74

 13 omega   91.00  178.00   1.0000  166.5000
omega____ theta____ kappa____ phi______ frames
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 14 omega   93.00  121.00   1.0000  166.5000
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 15 omega   54.00  101.00   1.0000  166.5000
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 16 omega   45.00   71.00   1.0000  166.5000
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 17 omega   53.00   90.00   1.0000  166.5000
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 18 omega  107.00  137.00   1.0000  166.5000
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 19 omega   48.00  122.00   1.0000  166.5000
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 20 omega   42.00   94.00   1.0000  166.5000
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 21 omega  118.00  145.00   1.0000  166.5000
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 22 omega  153.00  178.00   1.0000  166.5000
omega____ theta____ kappa____ phi______ frames
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 23 omega   46.00   80.00   1.0000  166.5000
omega____ theta____ kappa____ phi______ frames
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omega____ theta____ kappa____ phi______ frames
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 25 omega   56.00   86.00   1.0000  166.5000
omega____ theta____ kappa____ phi______ frames
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 26 omega   34.00  109.00   1.0000  166.5000
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;
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_diffrn_source                   'sealed X-ray tube'
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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Empirical absorption correction using spherical harmonics,
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Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear colourless'
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0438P)^2^+0.9231P] where P=(Fo^2^+2Fc^2^)/3'
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