Sample Originator: Craig Buttsa.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University of Exetera
University of Southamptonb
C31H55BF4N2
InChI=1/C31H55N2.BF3.FH/c1-3-5-7-9-11-13-15-17-19-23-27-32-29-33(31-26-22-21-25-30(31)32)28-24-20-18-16-14-12-10-8-6-4-2;2-1(3)4;/h21-22,25-26,29H,3-20,23-24,27-28H2,1-2H3;;1H
| Identification Number: | 10.5258/ecrystals/953 |
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| Controlled Keywords: | structures of ionic liquids |
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| Date Created: | 24 September 2003 |
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| Deposited On: | 08 Nov 2013 16:32 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C31 H55 B F4 N2 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 9.2786(2) |
| Cell length b | 9.7633(2) |
| Cell length c | 19.4797(5) |
| Cell angle alpha | 93.186(2) |
| Cell angle beta | 94.9850(10) |
| Cell angle gamma | 114.7420(10) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0550 |
| R Factor (All) | 0.1222 |
| Weighted R Factor (Obs) | 0.1018 |
| Weighted R Factor (All) | 0.1212 |
Citation: Butts, Craig and Coles, Simon J. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/953)
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