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1,1,3,3-Tetramethylbutylammonium methyloxalate

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

Data Collection: Samantha K. Calleara

Structure Determination: Samantha K. Calleara.

University of Southamptona

C11H23NO4

InChI=1/C8H20N.C3H4O4/c1-7(2,3)6-8(4,5)9;1-7-3(6)2(4)5/h6H2,1-5,9H3;4H,1H3/q;-2/p-1

Identification Number:10.5258/ecrystals/518
Date Created:14 July 2008
Deposited On:14 Jul 2008 16:57
Deposited By:Dr Samantha K Callear

Data collection parameters

Chemical formulaC11 H23 N O4
Crystal morphology
Crystal systemtriclinic
Space group symbolP-1
Cell length a11.189(7)
Cell length b11.208(6)
Cell length c21.906(13)
Cell angle alpha84.512(7)
Cell angle beta85.814(7)
Cell angle gamma89.942(7)
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0988
R Factor (All)0.1253
Weighted R Factor (Obs)0.2520
Weighted R Factor (All)0.2717

Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/518)
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Available Files

Final Result

ssf1327.cif31k
ssf1327.cml21k
ssf1327.fcf324k

Validation

ssf1327_checkcif.htm10k

Refinement

ssf1327.res18k

Solution

ssf1327.prp5k

Processing

ssf1327.hkl438k

Other Files

shelxl.lst89k
ssf1327.doc111k
ssf1327.ent6k
ssf1327.inchi2k
ssf1327.ins17k
ssf1327.mol3k
ssf1327_ellipsoid.gif21k

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