Sample Originator: Peter J. Skabarab.
Data Collection: Simon J. Colesa
Structure Determination: Simon J. Colesa and Michael B. Hursthousea.
University of Southamptona
University of Strathclydeb
C14H16NS2
InChI=1/C24H24N2S4.4C2H6/c1-3-5-7-15-9-11-27-21(15)23-25-17-13-20-18(14-19(17)29-23)26-24(30-20)22-16(8-6-4-2)10-12-28-22;4*1-2/h9-14H,3-8H2,1-2H3;4*1-2H3
| Identification Number: | 10.5258/ecrystals/612 |
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| Date Created: | 18 October 2008 |
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| Deposited On: | 18 Oct 2008 00:38 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C14 H16 N S2 |
| Crystal morphology | Block |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 8.7385(2) |
| Cell length b | 9.11560(10) |
| Cell length c | 16.4786(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 91.0640(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0342 |
| R Factor (All) | 0.0415 |
| Weighted R Factor (Obs) | 0.0897 |
| Weighted R Factor (All) | 0.0950 |
Citation: Coles, Simon J. and Hursthouse, Michael B. and Skabara, Peter J. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/612)
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