Sample Originator: Terry L. Threlfalla.

Data Collection: Susanne L. Coles (née Huth)a

Structure Determination: Susanne L. Coles (née Huth)a and Michael B. Hursthousea.

University of Southamptona



Identification Number:10.5258/ecrystals/1384
Date Created:23 June 2008
Deposited On:30 Mar 2011 22:10
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC9 H8 F3 N O
Crystal morphologyNeedle
Crystal systemOrthorhombic
Space group symbolPbca
Cell length a9.6630(3)
Cell length b9.2888(2)
Cell length c19.8221(5)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0746
R Factor (Obs)0.0551
R Factor (All)0.0728
Weighted R Factor (Obs)0.1389
Weighted R Factor (All)0.1479

Citation: Coles (née Huth), Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1384)
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