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Ethanol-2-ammonium hemisuccinate hemisuccinic acid

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

Data Collection: Samantha K. Calleara

Structure Determination: Samantha K. Calleara.

University of Southamptona

C6H13NO5

InChI=1/2C4H6O4.C2H8NO/c2*5-3(6)1-2-4(7)8;3-1-2-4/h2*5,7H,1-2H2;4H,1-2H2,3H3/q2*-2;/p-2

Identification Number:10.5258/ecrystals/506
Date Created:10 July 2008
Deposited On:14 Jul 2008 17:06
Deposited By:Dr Samantha K Callear

Data collection parameters

Chemical formulaC6 H13 N O5
Crystal morphology
Crystal systemtriclinic
Space group symbolP-1
Cell length a5.7652(4)
Cell length b8.2911(5)
Cell length c9.0772(4)
Cell angle alpha87.558(4)
Cell angle beta73.569(4)
Cell angle gamma81.599(3)
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0617
R Factor (All)0.0868
Weighted R Factor (Obs)0.1135
Weighted R Factor (All)0.1267

Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/506)
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