94SRC137(1039) - C~H~10~O~3~
Sample Originator: Lesley McCalmana. Data Collection: Dai. E. Hibbsb and Michael B. Hursthousec Structure Determination: Dai. E. Hibbsb and Steven J. Lamondc. University of Strathclydea
University of Sydneyb
University of Southamptonc
C~H~10~O~3~ InChI=1/2C9H10O3/c2*1-2-12-9(11)7-3-5-8(10)6-4-7/h2*3-6,10H,2H2,1H3 | Date Created: | 17 May 1994 |
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| Deposited On: | 23 Dec 2014 13:33 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters| Chemical formula | C9 H10 O3 | | Crystal morphology | | | Crystal system | Monoclinic | | Space group symbol | P2(1)/c | | Cell length a | 11.336(9) | | Cell length b | 12.996(3) | | Cell length c | 11.379(2) | | Cell angle alpha | 90.00 | | Cell angle beta | 108.85(4) | | Cell angle gamma | 90.00 | | Data collection temperature | 120(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0456 | | R Factor (All) | 0.0938 | | Weighted R Factor (Obs) | 0.0933 | | Weighted R Factor (All) | 0.1073 |
Citation: McCalman, Lesley and Hibbs, Dai. E. and Hursthouse, Michael B. and Lamond, Steven J. (1994) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/818/)
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