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/1383
Date Created:15 July 2009
Deposited On:30 Mar 2011 20:56
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC8 H8 N2 O3
Crystal morphology
Crystal systemTriclinic
Space group symbolP-1
Cell length a3.821(5)
Cell length b9.726(14)
Cell length c22.67(3)
Cell angle alpha92.151(16)
Cell angle beta93.359(18)
Cell angle gamma100.409(16)
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0895
R Factor (Obs)0.1566
R Factor (All)0.1847
Weighted R Factor (Obs)0.3672
Weighted R Factor (All)0.3795

Citation: Coles (née Huth), Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1383)
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