Sample Originator: Craig Buttsa.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University of Exetera
University of Southamptonb
C17H29BrN2O
InChI=1/2C17H27N2.2CH4.2BrH.2H2O/c2*1-3-5-9-13-18-15-19(14-10-6-4-2)17-12-8-7-11-16(17)18;;;;;;/h2*7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3;2*1H4;2*1H;2*1H2
| Identification Number: | 10.5258/ecrystals/950 |
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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 | C17 H29 Br N2 O |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1) |
| Cell length a | 8.6737(2) |
| Cell length b | 22.2346(4) |
| Cell length c | 9.8649(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 104.9240(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0403 |
| R Factor (All) | 0.0480 |
| Weighted R Factor (Obs) | 0.0854 |
| Weighted R Factor (All) | 0.0895 |
Citation: Butts, Craig and Coles, Simon J. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/950)
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