Sample Originator: Peter J. Skabarab and Irina Afoninab.
Data Collection: Simon J. Colesa
Structure Determination: Simon J. Colesa and Michael B. Hursthousea.
University of Southamptona
University of Strathclydeb
C18H12S
InChI=1/C18H12S/c1-3-7-13-11(5-1)9-15-16-10-12-6-2-4-8-14(12)18(16)19-17(13)15/h1-8H,9-10H2
| Identification Number: | 10.5258/ecrystals/604 |
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| Date Created: | 26 September 2008 |
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| Deposited On: | 26 Sep 2008 15:24 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C18 H12 S |
| Crystal morphology | Plate |
| Crystal system | ? |
| Space group symbol | ? |
| Cell length a | 8.3358(6) |
| Cell length b | 26.3096(17) |
| Cell length c | 5.6923(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 | 0.0465 |
| R Factor (Obs) | 0.0629 |
| R Factor (All) | 0.0780 |
| Weighted R Factor (Obs) | 0.1449 |
| Weighted R Factor (All) | 0.1586 |
Citation: Coles, Simon J. and Hursthouse, Michael B. and Skabara, Peter J. and Afonina, Irina and Kanibolotsky, Alexander (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/604)
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