Sample Originator: Terry L. Threlfalla.

Data Collection: Susanne L. Hutha

Structure Determination: Susanne L. Hutha and Michael B. Hursthousea.

University of Southamptona



Identification Number:10.5258/ecrystals/687
Date Created:08 November 2008
Deposited On:03 Apr 2009 11:07
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC13 H10 N4 O5
Crystal morphologyNeedle
Crystal systemMonoclinic
Space group symbolI2
Cell length a6.7095(3)
Cell length b4.7163(3)
Cell length c20.0338(13)
Cell angle alpha90.00
Cell angle beta92.902(4)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0321
R Factor (Obs)0.0444
R Factor (All)0.0567
Weighted R Factor (Obs)0.0853
Weighted R Factor (All)0.0927

Citation: Huth, Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/687)
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