Sample Originator: Craig Buttsa.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University of Exetera
University of Southamptonb
C27H39F6N2P
InChI=1/C27H39N2.F5P.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;1-6(2,3,4)5;/h3,5,7,9,11,13,15,17-19,21-22,25H,4,6,8,10,12,14,16,20,23-24H2,1-2H3;;1H/b5-3+,9-7+,13-11+,19-15+;;
| Identification Number: | 10.5258/ecrystals/961 |
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| Controlled Keywords: | structures of ionic liquids |
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| Date Created: | 10 July 2003 |
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| Deposited On: | 14 Aug 2013 23:13 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C27 H39 F6 N2 P |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | P2(1)2(1)2(1) |
| Cell length a | 8.5458(4) |
| Cell length b | 9.3820(5) |
| Cell length c | 38.281(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0910 |
| R Factor (All) | 0.1560 |
| Weighted R Factor (Obs) | 0.2445 |
| Weighted R Factor (All) | 0.2897 |
Citation: Butts, Craig and Coles, Simon J. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/961)
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