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 |
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| Controlled Keywords: | structures of ionic liquids |
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| Date Created: | 12 September 2003 |
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| Deposited On: | 08 Nov 2013 15:20 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C27 H47 B F4 N2 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 9.2775(2) |
| Cell length b | 9.7893(2) |
| Cell length c | 17.4185(5) |
| Cell angle alpha | 94.5935(11) |
| Cell angle beta | 98.3266(12) |
| Cell angle gamma | 115.0261(12) |
| Data collection temperature | 150(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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