ethyl(3-bromo-1,4-dioxo-1,4-dihydronaphthalen-2-yl)acetate
Sample Originator: Ray Jonesa. Data Collection: Richard Stephensonb Structure Determination: Richard Stephensonb and Michael B. Hursthouseb. Loughborough Universitya
University of Southamptonb
C14H11BrO4 InChI=1/C14H11BrO4/c1-2-19-11(16)7-10-12(15)14(18)9-6-4-3-5-8(9)13(10)17/h3-6H,2,7H2,1H3 | Identification Number: | 10.5258/ecrystals/322 |
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| Controlled Keywords: | Heterocyclic |
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| Date Created: | 15 June 2007 |
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| Deposited On: | 21 Jan 2008 15:30 |
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| Deposited By: | Dr Richard A Stephenson |
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Data collection parameters| Chemical formula | C14 H11 Br O4 | | Crystal morphology | | | Crystal system | Monoclinic | | Space group symbol | P 21/c | | Cell length a | 19.6704(7) | | Cell length b | 4.7195(2) | | Cell length c | 14.9893(5) | | Cell angle alpha | 90.00 | | Cell angle beta | 112.153(2) | | Cell angle gamma | 90.00 | | Data collection temperature | 120(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0444 | | R Factor (All) | 0.0625 | | Weighted R Factor (Obs) | 0.0828 | | Weighted R Factor (All) | 0.0918 |
Citation: Jones, Ray and Stephenson, Richard and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/322)
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