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/1364
Date Created:22 October 2008
Deposited On:30 Mar 2011 17:10
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC8 H8 N2 O3
Crystal morphologyPlate
Crystal systemMonoclinic
Space group symbolP21/n
Cell length a10.5564(4)
Cell length b4.9758(2)
Cell length c15.4117(5)
Cell angle alpha90.00
Cell angle beta97.134(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0318
R Factor (Obs)0.0416
R Factor (All)0.0556
Weighted R Factor (Obs)0.1016
Weighted R Factor (All)0.1110

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/1364)
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