Sample Originator: Michael B. Hursthouse, Phil A. Gale and Mark E. Light.
C16H36N . HO4S
InChI=1/4C16H36N.4HO4S/c4*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;4*1-5(2,3)4/h4*5-16H2,1-4H3;4*(H,1,2,3,4)
| Identification Number: | 10.5258/ecrystals/116 |
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| Date Created: | 24 May 2001 |
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| Deposited On: | 21 Jan 2008 15:29 |
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| Deposited By: | A.N. Admin |
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Depositor Comments
The hydrogensulfate ions of the title compound, C16H36N+·HSO4-, form hydrogen-bonded dimers.
Data collection parameters
| Chemical formula | C16 H37 N O4 S |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 21.7299(4) |
| Cell length b | 21.3998(4) |
| Cell length c | 17.0880(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 91.318(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0911 |
| R Factor (Obs) | 0.0735 |
| R Factor (All) | 0.1357 |
| Weighted R Factor (Obs) | 0.2027 |
| Weighted R Factor (All) | 0.2369 |
Citation: Hursthouse, Michael B. and Gale, Phil A. and Light, Mark E. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/116)
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