C~21~H~35~N~2~, 0.5(H~2~O), Br

Sample Originator: Craig Buttsa.

Data Collection: Mark E. Lightb and Michael B. Hursthouseb

Structure Determination: Mark E. Lightb.

University of Exetera
University of Southamptonb

C21H35N2, 0 . 5(H2O), Br


Controlled Keywords:structures of ionic liquids
Date Created:29 February 2003
Deposited On:16 Feb 2010 13:00
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were placed in idealised positions and refined using a riding model.

Data collection parameters

Chemical formulaC21 H36 Br N2 O0.50
Crystal morphology
Crystal systemTriclinic
Space group symbolP-1
Cell length a8.7824(2)
Cell length b9.2084(3)
Cell length c14.4412(5)
Cell angle alpha76.4020(10)
Cell angle beta77.2200(10)
Cell angle gamma75.718(2)
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0490
R Factor (All)0.0685
Weighted R Factor (Obs)0.1056
Weighted R Factor (All)0.1163

Citation: Butts, Craig and Light, Mark E. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1211/)
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