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/1371
Date Created:21 June 2008
Deposited On:30 Mar 2011 17:57
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 merit0.0533
R Factor (Obs)0.0499
R Factor (All)0.0647
Weighted R Factor (Obs)0.1194
Weighted R Factor (All)0.1273

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/1371)
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