02SRC177
- C17H10Br2O2S5
Sample Originator: Neil Bricklebanka. Data Collection: Simon J. Colesb and Michael B. Hursthouseb Structure Determination: Simon J. Colesb. Sheffield Hallam Universitya
University of Southamptonb
C17H10Br2O2S5 InChI=1/2C17H10Br2O2S5/c2*18-26(19)17-24-15(22-13(20)11-7-3-1-4-8-11)16(25-17)23-14(21)12-9-5-2-6-10-12/h2*1-10H | Identification Number: | 10.5258/ecrystals/897 |
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| Controlled Keywords: | organosulfur compounds |
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| Date Created: | 10 April 2002 |
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| Deposited On: | 28 Mar 2012 13:05 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters| Chemical formula | C17 H10 Br2 O2 S5 | | Crystal morphology | | | Crystal system | Monoclinic | | Space group symbol | Cc | | Cell length a | 20.9579(5) | | Cell length b | 13.8067(4) | | Cell length c | 15.1219(5) | | Cell angle alpha | 90.00 | | Cell angle beta | 116.4930(10) | | Cell angle gamma | 90.00 | | Data collection temperature | 120(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0570 | | R Factor (All) | 0.0665 | | Weighted R Factor (Obs) | 0.1449 | | Weighted R Factor (All) | 0.1557 |
Citation: Bricklebank, Neil and Coles, Simon J. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/897)
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