Sample Originator: Adrian Dobbsa.
Data Collection: Richard Stephensonb
Structure Determination: Richard Stephensonb.
Queen Mary, University of Londona
University of Southamptonb
InChI=1/C22H28ClNO2S/c1-3-21(23)20-15-16-24(22(20)14-11-18-7-5-4-6-8-18)27(25,26)19-12-9-17(2)10-13-19/h4-10,12-13,20-22H,3,11,14-16H2,1-2H3/t20-,21-,22-/m1/s1
| Identification Number: | 10.5258/ecrystals/445 |
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| Date Created: | 04 June 2008 |
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| Deposited On: | 04 Jun 2008 10:41 |
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| Deposited By: | Dr Richard A Stephenson |
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Data collection parameters
| Chemical formula | C22 H28 Cl N O2 S |
| Crystal morphology | Block |
| Crystal system | Orthorhombic |
| Space group symbol | Pna2(1) |
| Cell length a | 14.7643(7) |
| Cell length b | 13.3490(6) |
| Cell length c | 10.3953(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) | 0.0504 |
| R Factor (All) | 0.0832 |
| Weighted R Factor (Obs) | 0.1017 |
| Weighted R Factor (All) | 0.1143 |
Citation: Dobbs, Adrian and Stephenson, Richard and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/445)
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