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/1375
Date Created:14 July 2008
Deposited On:30 Mar 2011 18:01
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC8 H9 N O2
Crystal morphologyNeedle
Crystal systemOrthorhombic
Space group symbolPna21
Cell length a10.5129(4)
Cell length b17.0435(4)
Cell length c4.06750(10)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0449
R Factor (Obs)0.0306
R Factor (All)0.0322
Weighted R Factor (Obs)0.0694
Weighted R Factor (All)0.0708

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/1375)
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