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(E)-3,5-difluoro-N-(3,4,5-trifluorobenzylidene)aniline

Sample Originator: T Threlfall.

Data Collection: G Tizzarda and S Linga

Structure Determination: S Linga and S Colesa.

University of Southamptona

C13H5F5N1

InChI=1/C13H6F5N.3C13H5F5N/c4*14-8-3-9(15)5-10(4-8)19-6-7-1-11(16)13(18)12(17)2-7/h1-6H;3*1-5H/b19-6+;;;

Identification Number:10.5258/ecrystals/1420
Date Created:2010
Deposited On:28 Mar 2012 09:17
Deposited By:Mr Samuel O Ling

Data collection parameters

Chemical formulaC13 H0 F5 N
Crystal morphology
Crystal system?
Space group symbol?
Cell length a7.1359(12)
Cell length b15.247(2)
Cell length c20.576(3)
Cell angle alpha87.348(7)
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.1037
R Factor (All)0.2679
Weighted R Factor (Obs)0.2289
Weighted R Factor (All)0.3234

Citation: Tizzard, G and Ling, S and Threlfall, T and Coles, S (2010) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1420)
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