Sample Originator: Craig Buttsa.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University of Exetera
University of Southamptonb
C19H33BrN2O
InChI=1/C19H31N2.BrH.H2O/c1-3-5-7-11-15-20-17-21(16-12-8-6-4-2)19-14-10-9-13-18(19)20;;/h9-10,13-14,17H,3-8,11-12,15-16H2,1-2H3;1H;1H2
| Identification Number: | 10.5258/ecrystals/948 |
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| Controlled Keywords: | structures of ionic liquids |
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| Date Created: | 03 February 2003 |
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| Deposited On: | 08 Nov 2013 16:20 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C19 H33 Br N2 O |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 8.8931(3) |
| Cell length b | 9.0266(2) |
| Cell length c | 13.6881(6) |
| Cell angle alpha | 72.225(2) |
| Cell angle beta | 77.2341(18) |
| Cell angle gamma | 77.122(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0397 |
| R Factor (All) | 0.0563 |
| Weighted R Factor (Obs) | 0.0879 |
| Weighted R Factor (All) | 0.0950 |
Citation: Butts, Craig and Coles, Simon J. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/948)
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