Sample Originator: Terry L. Threlfalla.

Data Collection: Susanne L. Hutha

Structure Determination: Susanne L. Hutha.

University of Southamptona



Identification Number:10.5258/ecrystals/541
Date Created:21 June 2008
Deposited On:03 Apr 2009 12:05
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC8 H8 N2 O3
Crystal morphologyCut Prism
Crystal systemMonoclinic
Space group symbolP21
Cell length a9.7285(5)
Cell length b13.3392(7)
Cell length c12.9849(5)
Cell angle alpha90.00
Cell angle beta103.791(3)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0632
R Factor (Obs)0.0503
R Factor (All)0.0649
Weighted R Factor (Obs)0.1210
Weighted R Factor (All)0.1287

Citation: Huth, Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/541)
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