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03SRC595 - C27H47BF4N2

Sample Originator: Craig Buttsa.

Data Collection: Simon J. Colesb and Michael B. Hursthouseb

Structure Determination: Simon J. Colesb.

University of Exetera
University of Southamptonb

C27H47BF4N2

InChI=1/C27H47N2.BF3.FH/c1-3-5-7-9-11-13-15-19-23-28-25-29(27-22-18-17-21-26(27)28)24-20-16-14-12-10-8-6-4-2;2-1(3)4;/h17-18,21-22,25H,3-16,19-20,23-24H2,1-2H3;;1H

Identification Number:10.5258/ecrystals/956
Controlled Keywords:structures of ionic liquids
Date Created:12 September 2003
Deposited On:08 Nov 2013 15:20
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC27 H47 B F4 N2
Crystal morphology
Crystal systemTriclinic
Space group symbolP-1
Cell length a9.2775(2)
Cell length b9.7893(2)
Cell length c17.4185(5)
Cell angle alpha94.5935(11)
Cell angle beta98.3266(12)
Cell angle gamma115.0261(12)
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0389
R Factor (All)0.0515
Weighted R Factor (Obs)0.1010
Weighted R Factor (All)0.1090

Citation: Butts, Craig and Coles, Simon J. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/956)
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