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/1365
Date Created:07 November 2008
Deposited On:30 Mar 2011 17:11
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC9 H8 N2 O
Crystal morphologyCut Needle
Crystal systemOrthorhombic
Space group symbolP21 21 21
Cell length a3.8114(4)
Cell length b11.3360(14)
Cell length c18.3264(17)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0324
R Factor (Obs)0.0557
R Factor (All)0.0673
Weighted R Factor (Obs)0.1262
Weighted R Factor (All)0.1319

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/1365)
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