Sample Originator: Michael B. Hursthouse and Simon J. Coles.



Identification Number:10.5258/ecrystals/58
Date Created:06 July 2004
Deposited On:21 Jan 2008 15:28
Deposited By:A.N. Admin

Data collection parameters

Chemical formulaC13 H13 N O3
Crystal morphology
Crystal systemOrthorhombic
Space group symbolP2(1)2(1)2(1)
Cell length a6.80780(10)
Cell length b9.3184(2)
Cell length c17.5481(3)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0569
R Factor (Obs)0.0310
R Factor (All)0.0337
Weighted R Factor (Obs)0.0848
Weighted R Factor (All)0.0870

Citation: Hursthouse, Michael B. and Coles, Simon J. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/58)
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