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2009src0246 - C~6~H~3~ClF~3NO

Sample Originator: P. G. Taylora.

Data Collection: Samantha K. Callearb and Michael B. Hursthouseb

Structure Determination: Samantha K. Callearb.

Open Universitya
University of Southamptonb

C~6~H~3~ClF~3NO

InChI=1/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)

Identification Number:10.5258/ecrystals/700
Date Created:06 April 2009
Deposited On:09 Apr 2009 10:14
Deposited By:Dr Samantha K Callear

Data collection parameters

Chemical formulaC6 H3 Cl F3 N O
Crystal morphologyBlock
Crystal systemmonoclinic
Space group symbolP21/c
Cell length a10.8836(11)
Cell length b8.4697(9)
Cell length c7.9738(7)
Cell angle alpha90.00
Cell angle beta102.651(6)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0513
R Factor (All)0.0826
Weighted R Factor (Obs)0.1158
Weighted R Factor (All)0.1290

Citation: Taylor, P. G. and Callear, Samantha K. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/700)
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