Sample Originator: Adrian Dobbsa.
Data Collection: Richard Stephensonb
Structure Determination: Richard Stephensonb.
Queen Mary, University of Londona
University of Southamptonb
InChI=1/C20H29NO2S/c1-3-7-17-14-15-21(20(17)18-8-5-4-6-9-18)24(22,23)19-12-10-16(2)11-13-19/h3,7,10-13,17-18,20H,4-6,8-9,14-15H2,1-2H3/b7-3+/t17-,20-/m0/s1
| Identification Number: | 10.5258/ecrystals/418 |
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| Date Created: | 09 May 2008 |
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| Deposited On: | 04 Jun 2008 10:49 |
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| Deposited By: | Dr Richard A Stephenson |
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Data collection parameters
| Chemical formula | C20 H29 N O2 S |
| Crystal morphology | Block |
| Crystal system | Monoclinic |
| Space group symbol | P21/c |
| Cell length a | 7.7257(2) |
| Cell length b | 21.1223(7) |
| Cell length c | 11.5315(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 96.654(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0678 |
| R Factor (All) | 0.0950 |
| Weighted R Factor (Obs) | 0.1531 |
| Weighted R Factor (All) | 0.1737 |
Citation: Dobbs, Adrian and Stephenson, Richard and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/418)
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