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
C28H32N2S4
InChI=1/C14H19NS2/c1-3-4-5-6-7-12-8-9-16-13(12)14-15-11(2)10-17-14/h8-10H,3-7H2,1-2H3
| Identification Number: | 10.5258/ecrystals/411 |
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| Date Created: | 08 May 2008 |
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| Deposited On: | 09 May 2008 00:02 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C28 H32 N2 S4 |
| Crystal morphology | Blade |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/n |
| Cell length a | 7.9919(4) |
| Cell length b | 9.1538(5) |
| Cell length c | 17.7888(7) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 98.160(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0632 |
| R Factor (Obs) | 0.0916 |
| R Factor (All) | 0.1282 |
| Weighted R Factor (Obs) | 0.1675 |
| Weighted R Factor (All) | 0.1853 |
Citation: Coles, Simon J. and Hursthouse, Michael B. and Skabara, Peter J. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/411)
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