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(E)-2,4,6-trifluoro-N-(2,3-difluorobenzylidene)aniline

Sample Originator: T Threlfalla.

Data Collection: G Tizzarda

Structure Determination: S Linga and S Colesa.

University of Southamptona

C13 H6 F5 N

InChI=1/C13H6F5N.C13H5F5N/c2*14-8-4-10(16)13(11(17)5-8)19-6-7-2-1-3-9(15)12(7)18/h1-6H;1-5H/b19-6+;

Identification Number:10.5258/ecrystals/1427
Date Created:2010
Deposited On:28 Mar 2012 09:14
Deposited By:Mr Samuel O Ling

Data collection parameters

Chemical formulaC13 H0 F5 N
Crystal morphologyBlock
Crystal system?
Space group symbol?
Cell length a3.6878(3)
Cell length b48.796(4)
Cell length c12.4014(12)
Cell angle alpha90.00
Cell angle beta98.55
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0863
R Factor (All)0.1712
Weighted R Factor (Obs)0.1547
Weighted R Factor (All)0.1939

Citation: Tizzard, G and Threlfall, T and Ling, S and Coles, S (2010) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1427)
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