2007src1376 - C28H32N2S4
Data Collection: Simon J. Colesa Structure Determination: Michael B. Hursthousea and Simon J. Colesa. University of Southamptona
University of Strathclydeb
C28H32N2S4 InChI=1/2C28H32N2S4/c2*1-3-5-7-9-11-19-13-25(31-17-19)27-29-21-15-24-22(16-23(21)33-27)30-28(34-24)26-14-20(18-32-26)12-10-8-6-4-2/h2*13-18H,3-12H2,1-2H3 | Identification Number: | 10.5258/ecrystals/422 |
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| Date Created: | 12 May 2008 |
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| Deposited On: | 13 May 2008 09:17 |
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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 | Plate | | Crystal system | Triclinic | | Space group symbol | P-1 | | Cell length a | 5.3320(4) | | Cell length b | 12.9425(9) | | Cell length c | 20.2396(15) | | Cell angle alpha | 71.806(3) | | Cell angle beta | 89.317(3) | | Cell angle gamma | 78.634(4) | | Data collection temperature | 120(2) |
Refinement results| Solution figure of merit | 0.0587 | | R Factor (Obs) | 0.0727 | | R Factor (All) | 0.0902 | | Weighted R Factor (Obs) | 0.1692 | | Weighted R Factor (All) | 0.1825 |
Citation: Hursthouse, Michael B. and Coles, Simon J. and Skabara, Peter J. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/422)
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