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/1400
Date Created:23 November 2010
Deposited On:30 Mar 2011 21:17
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC9 H8 F3 N O2
Crystal morphologyNeedle
Crystal systemMonoclinic
Space group symbolCc
Cell length a4.4884(5)
Cell length b22.168(3)
Cell length c9.5284(13)
Cell angle alpha90.00
Cell angle beta90.048(7)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0421
R Factor (Obs)0.0517
R Factor (All)0.0707
Weighted R Factor (Obs)0.1082
Weighted R Factor (All)0.1211

Citation: Coles (née Huth), Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2010) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1400)
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