Sample Originator: Adrian Dobbsb.
Data Collection: Richard A Stephensona
Structure Determination: Richard A Stephensona.
University of Southamptona
Queen Mary, University of Londonb
C20H30Cl1N1O2S1
InChI=1/C20H30ClNO2S/c1-3-19(21)18-13-14-22(20(18)16-7-5-4-6-8-16)25(23,24)17-11-9-15(2)10-12-17/h9-12,16,18-20H,3-8,13-14H2,1-2H3/t18-,19-,20-/m1/s1
| Identification Number: | 10.5258/ecrystals/388 |
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| Date Created: | 21 August 2007 |
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| Deposited On: | 12 May 2008 13:13 |
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| Deposited By: | Dr Richard A Stephenson |
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Data collection parameters
| Chemical formula | C20 H30 Cl N O2 S |
| Crystal morphology | Wedge |
| Crystal system | Orthorhombic |
| Space group symbol | Pbca |
| Cell length a | 13.0538(3) |
| Cell length b | 15.5288(3) |
| Cell length c | 19.1088(4) |
| 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) | 0.0406 |
| R Factor (All) | 0.0550 |
| Weighted R Factor (Obs) | 0.1017 |
| Weighted R Factor (All) | 0.1096 |
Citation: Stephenson, Richard A and Dobbs, Adrian and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/388)
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