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/1373
Date Created:08 July 2008
Deposited On:30 Mar 2011 17:59
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC8 H8 F N O
Crystal morphologyFragment
Crystal systemOrthorhombic
Space group symbolPbca
Cell length a12.1766(4)
Cell length b9.5024(3)
Cell length c12.9638(3)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.1503
R Factor (Obs)0.0437
R Factor (All)0.0555
Weighted R Factor (Obs)0.0985
Weighted R Factor (All)0.1068

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/1373)
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