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2-Pyrrolidinone-5-carboxylic acid

Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.

Data Collection: Samantha K. Calleara

Structure Determination: Samantha K. Calleara.

University of Southamptona

C5H7NO3

InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3,6,8H,1-2H2/q-2/t3-/m1/s1

Identification Number:10.5258/ecrystals/551
Date Created:04 August 2008
Deposited On:14 Apr 2009 20:55
Deposited By:Dr Samantha K Callear

Data collection parameters

Chemical formulaC5 H7 N O3
Crystal morphologyBlock
Crystal systemorthorhombic
Space group symbolP212121
Cell length a8.1972(10)
Cell length b14.340(2)
Cell length c14.6661(15)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0518
R Factor (All)0.1088
Weighted R Factor (Obs)0.0942
Weighted R Factor (All)0.1118

Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/551)
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