Sample Originator: F. H. Frya.
Data Collection: Louise Maleb
Structure Determination: Louise Maleb and Michael B. Hursthouseb.
University of Exetera
University of Southamptonb
C19H28ClNO2S
InChI=1/C19H30ClNO2S/c1-14-8-10-17(11-9-14)24(22,23)21-13-12-18(15(2)20)19(21)16-6-4-3-5-7-16/h8-11,15-16,18-19,24H,3-7,12-13H2,1-2H3,(H,22,23)/t15-,18+,19+/m0/s1
| Identification Number: | 10.5258/ecrystals/332 |
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| Date Created: | 29 June 2007 |
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| Deposited On: | 21 Jan 2008 15:30 |
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| Deposited By: | Dr Louise Male |
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Data collection parameters
| Chemical formula | C19 H28 Cl N O2 S |
| Crystal morphology | Rod |
| Crystal system | Orthorhombic |
| Space group symbol | P na2(1) |
| Cell length a | 15.4076(3) |
| Cell length b | 12.9924(4) |
| Cell length c | 9.3800(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0699 |
| R Factor (All) | 0.0743 |
| Weighted R Factor (Obs) | 0.1726 |
| Weighted R Factor (All) | 0.1761 |
Citation: Fry, F. H. and Male, Louise and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/332)
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