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Adipic acid 2-imidazolidinone

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

Data Collection: Samantha K. Calleara

Structure Determination: Samantha K. Calleara.

University of Southamptona

C12H22N4O6

InChI=1/C6H10O4.C3H6N2O/c7-5(8)3-1-2-4-6(9)10;6-3-4-1-2-5-3/h7,9H,1-4H2;4-5H,1-2H2/q-2;-1

Identification Number:10.5258/ecrystals/504
Date Created:10 July 2008
Deposited On:14 Jul 2008 17:08
Deposited By:Dr Samantha K Callear

Data collection parameters

Chemical formulaC12 H22 N4 O6
Crystal morphologyBlock
Crystal systemmonoclinic
Space group symbolP21/c
Cell length a7.7814(3)
Cell length b22.3584(11)
Cell length c9.1957(5)
Cell angle alpha90.00
Cell angle beta103.329(3)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0934
R Factor (All)0.1552
Weighted R Factor (Obs)0.1574
Weighted R Factor (All)0.1880

Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/504)
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