Sample Originator: Craig Buttsa.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University of Exetera
University of Southamptonb
C23H41BrN2O
InChI=1/C23H39N2.BrH.H2O/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;;/h13-14,17-18,21H,3-12,15-16,19-20H2,1-2H3;1H;1H2
| Identification Number: | 10.5258/ecrystals/951 |
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| Controlled Keywords: | structures of ionic liquids |
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| Date Created: | 05 February 2003 |
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| Deposited On: | 08 Nov 2013 16:22 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C23 H41 Br N2 O |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 9.0890(2) |
| Cell length b | 9.1411(3) |
| Cell length c | 15.9877(5) |
| Cell angle alpha | 77.5730(10) |
| Cell angle beta | 76.5140(10) |
| Cell angle gamma | 77.964(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0467 |
| R Factor (All) | 0.0819 |
| Weighted R Factor (Obs) | 0.0912 |
| Weighted R Factor (All) | 0.1042 |
Citation: Butts, Craig and Coles, Simon J. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/951)
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