Sample Originator: Adrian Dobbsa.
Data Collection: Richard Stephensonb
Structure Determination: Richard Stephensonb.
Queen Mary, University of Londona
University of Southamptonb
C22H28Cl1N1O2S1
InChI=1/C22H28ClNO2S/c1-3-20-21(23)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/443 |
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| Date Created: | 03 June 2008 |
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| Deposited On: | 03 Jun 2008 10:27 |
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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 | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1) |
| Cell length a | 8.9411(3) |
| Cell length b | 11.0719(3) |
| Cell length c | 10.9373(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 99.810(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0404 |
| R Factor (All) | 0.0470 |
| Weighted R Factor (Obs) | 0.1043 |
| Weighted R Factor (All) | 0.1078 |
Citation: Dobbs, Adrian and Stephenson, Richard and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/443)
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