Sample Originator: Craig Buttsa.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University of Exetera
University of Southamptonb
C21H35BF4N2
InChI=1/C21H35N2.BF3.FH/c1-3-5-7-9-13-17-22-19-23(18-14-10-8-6-4-2)21-16-12-11-15-20(21)22;2-1(3)4;/h11-12,15-16,19H,3-10,13-14,17-18H2,1-2H3;;1H
| Identification Number: | 10.5258/ecrystals/1001 |
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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: | 16 Feb 2010 11:07 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C21 H35 B F4 N2 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 9.2690(3) |
| Cell length b | 9.9893(3) |
| Cell length c | 14.5557(6) |
| Cell angle alpha | 106.773(2) |
| Cell angle beta | 92.343(2) |
| Cell angle gamma | 116.871(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0742 |
| R Factor (All) | 0.1024 |
| Weighted R Factor (Obs) | 0.1946 |
| Weighted R Factor (All) | 0.2168 |
Citation: Butts, Craig and Coles, Simon J. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1001)
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