Sample Originator: Terry L. Threlfalla.

Data Collection: Susanne L. Hutha

Structure Determination: Susanne L. Hutha and Michael B. Hursthousea.

University of Southamptona



Identification Number:10.5258/ecrystals/698
Date Created:08 November 2008
Deposited On:03 Apr 2009 11:54
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC7 H7 F3 N2 O2
Crystal morphologyCut Fragment
Crystal systemMonoclinic
Space group symbolP21/c
Cell length a8.2778(3)
Cell length b7.0864(2)
Cell length c14.7146(5)
Cell angle alpha90.00
Cell angle beta97.230(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0406
R Factor (Obs)0.0432
R Factor (All)0.0479
Weighted R Factor (Obs)0.1051
Weighted R Factor (All)0.1085

Citation: Huth, Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/698)
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