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
C26H12S8
InChI=1/C14H10S3.2H2S/c1-2-4-9(3-1)13-10-5-6-15-11(10)7-12-14(13)17-8-16-12;;/h1-3,5-8,11H,4H2;2*1H2
| Identification Number: | 10.5258/ecrystals/412 |
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| Date Created: | 09 May 2008 |
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| Deposited On: | 09 May 2008 00:17 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C26 H12 S8 |
| Crystal morphology | Block |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 3.92460(10) |
| Cell length b | 16.0687(5) |
| Cell length c | 17.4699(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.825(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0476 |
| R Factor (Obs) | 0.0356 |
| R Factor (All) | 0.0464 |
| Weighted R Factor (Obs) | 0.0854 |
| Weighted R Factor (All) | 0.0924 |
Citation: Coles, Simon J. and Hursthouse, Michael B. and Skabara, Peter J. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/412)
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