Sample Originator: Craig Buttsa.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University of Exetera
University of Southamptonb
C29H51BF4N2
InChI=1/C29H51N2.BF3.FH/c1-3-5-7-9-11-13-15-17-21-25-30-27-31(29-24-20-19-23-28(29)30)26-22-18-16-14-12-10-8-6-4-2;2-1(3)4;/h19-20,23-24,27H,3-18,21-22,25-26H2,1-2H3;;1H
| Identification Number: | 10.5258/ecrystals/954 |
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| Controlled Keywords: | structures of ionic liquids |
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| Date Created: | 02 October 2003 |
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| Deposited On: | 08 Nov 2013 16:33 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C29 H51 B F4 N2 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 9.3760(3) |
| Cell length b | 9.8695(4) |
| Cell length c | 19.4491(9) |
| Cell angle alpha | 76.788(2) |
| Cell angle beta | 79.129(2) |
| Cell angle gamma | 64.044(2) |
| Data collection temperature | 293(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0767 |
| R Factor (All) | 0.1609 |
| Weighted R Factor (Obs) | 0.2161 |
| Weighted R Factor (All) | 0.2676 |
Citation: Butts, Craig and Coles, Simon J. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/954)
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