03SRC204 - C13H10F4I2N2O2S
Sample Originator: Neil Bricklebanka. Data Collection: Simon J. Colesb and Michael B. Hursthouseb Structure Determination: Simon J. Colesb. Sheffield Hallam Universitya
University of Southamptonb
C13H10F4I2N2O2S InChI=1/C7H10N2O2S.C6F4I2/c1-3-11-7(10)9-5-4-8(2)6(9)12;7-1-2(8)6(12)4(10)3(9)5(1)11/h4-5H,3H2,1-2H3; | Identification Number: | 10.5258/ecrystals/900 |
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| Controlled Keywords: | organosulfur compounds |
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| Date Created: | 21 March 2003 |
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| Deposited On: | 08 Nov 2013 16:25 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters| Chemical formula | C13 H10 F4 I2 N2 O2 S | | Crystal morphology | | | Crystal system | Orthorhombic | | Space group symbol | Pbca | | Cell length a | 21.0514(3) | | Cell length b | 7.02760(10) | | Cell length c | 24.2942(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 | | | R Factor (Obs) | 0.0322 | | R Factor (All) | 0.0369 | | Weighted R Factor (Obs) | 0.0761 | | Weighted R Factor (All) | 0.0785 |
Citation: Bricklebank, Neil and Coles, Simon J. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/900)
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