98SRC211(1117) - C18H12S2
Sample Originator: Andy Peltera. Data Collection: Mark E. Lightb and Michael B. Hursthouseb Structure Determination: Mark E. Lightb. University College of Swanseaa
University of Southamptonb
C18H12S2 InChI=1/C18H12S2/c1-2-6-14-12-16(18-8-4-10-20-18)15(11-13(14)5-1)17-7-3-9-19-17/h1-12H | Identification Number: | 10.5258/ecrystals/753 |
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| Date Created: | 19 August 1998 |
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| Deposited On: | 14 Aug 2013 23:49 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters| Chemical formula | C18 H12 S2 | | Crystal morphology | | | Crystal system | Monoclinic | | Space group symbol | P2(1)/c | | Cell length a | 11.5930(7) | | Cell length b | 12.0590(5) | | Cell length c | 10.7530(7) | | Cell angle alpha | 90.00 | | Cell angle beta | 105.680(2) | | Cell angle gamma | 90.00 | | Data collection temperature | 293(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0557 | | R Factor (All) | 0.0680 | | Weighted R Factor (Obs) | 0.1571 | | Weighted R Factor (All) | 0.1673 |
Citation: Pelter, Andy and Light, Mark E. and Hursthouse, Michael B. (1998) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/753)
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