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4-Methylimidazolium suberate

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

Data Collection: Samantha K. Calleara

Structure Determination: Samantha K. Calleara.

University of Southamptona

C12H20N2O4

InChI=1/C8H14O4.C4H7N2/c9-7(10)5-3-1-2-4-6-8(11)12;1-4-2-5-3-6-4/h1-6H2,(H,9,10)(H,11,12);2-3,5-6H,1H3

Identification Number:10.5258/ecrystals/459
Date Created:04 June 2008
Deposited On:14 Jul 2008 22:13
Deposited By:Dr Samantha K Callear

Data collection parameters

Chemical formulaC12 H20 N2 O4
Crystal morphologyShard
Crystal systemMonoclinic
Space group symbolP21/n
Cell length a8.8691(7)
Cell length b13.2988(17)
Cell length c12.1250(14)
Cell angle alpha90.00
Cell angle beta109.500(7)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.1082
R Factor (All)0.2045
Weighted R Factor (Obs)0.1252
Weighted R Factor (All)0.1494

Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/459)
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