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Hexamethyleneiminium adipate

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

Data Collection: Samantha K. Calleara

Structure Determination: Samantha K. Calleara.

University of Southamptona

C12H23NO4

InChI=1/C6H14N.C6H10O4/c1-2-4-6-7-5-3-1;7-5(8)3-1-2-4-6(9)10/h1-7H2;1-4H2,(H,7,8)(H,9,10)

Identification Number:10.5258/ecrystals/556
Date Created:05 August 2008
Deposited On:14 Apr 2009 20:51
Deposited By:Dr Samantha K Callear

Data collection parameters

Chemical formulaC12 H23 N O4
Crystal morphologyFragment
Crystal systemmonoclinic
Space group symbolCc
Cell length a13.8261(10)
Cell length b11.0607(10)
Cell length c9.6798(9)
Cell angle alpha90.00
Cell angle beta115.478(7)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0438
R Factor (All)0.0541
Weighted R Factor (Obs)0.0932
Weighted R Factor (All)0.0993

Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/556)
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