Sample Originator: Craig Buttsa.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University of Exetera
University of Southamptonb
C23H39BF4N2
InChI=1/C23H39N2.BF3.FH/c1-3-5-7-9-11-15-19-24-21-25(20-16-12-10-8-6-4-2)23-18-14-13-17-22(23)24;2-1(3)4;/h13-14,17-18,21H,3-12,15-16,19-20H2,1-2H3;;1H
| Identification Number: | 10.5258/ecrystals/958 |
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| Controlled Keywords: | structures of ionic liquids |
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| Date Created: | 06 October 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 | C23 H39 B F4 N2 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 9.30640(10) |
| Cell length b | 9.8372(2) |
| Cell length c | 15.4960(4) |
| Cell angle alpha | 96.2045(7) |
| Cell angle beta | 102.3108(8) |
| Cell angle gamma | 115.3996(14) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0570 |
| R Factor (All) | 0.0724 |
| Weighted R Factor (Obs) | 0.1495 |
| Weighted R Factor (All) | 0.1637 |
Citation: Butts, Craig and Coles, Simon J. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/958)
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