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1,1,3,3-Tetramethylbutylammonium hemifumarate

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

Data Collection: Samantha K. Calleara

Structure Determination: Samantha K. Calleara.

University of Southamptona

C20H42N2O4

InChI=1/C8H20N.C4H4O4/c1-7(2,3)6-8(4,5)9;5-3(6)1-2-4(7)8/h6H2,1-5,9H3;1-2,5,7H/q;-2/p-2/b;2-1+

Identification Number:10.5258/ecrystals/502
Date Created:10 July 2008
Deposited On:22 Jul 2008 16:11
Deposited By:Dr Samantha K Callear

Data collection parameters

Chemical formulaC20 H42 N2 O4
Crystal morphologyPlate
Crystal systemmonoclinic
Space group symbolP21/c
Cell length a11.569(10)
Cell length b6.307(5)
Cell length c16.676(13)
Cell angle alpha90.00
Cell angle beta101.54(5)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.1926
R Factor (All)0.4101
Weighted R Factor (Obs)0.3174
Weighted R Factor (All)0.4242

Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/502)
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