Sample Originator: Peter N. Horton, Claire L Taylor, Michael B. Hursthouse and Simon J. Coles.
C8H6O4
InChI=1/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)
| Identification Number: | 10.5258/ecrystals/149 |
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| Date Created: | 15 February 2005 |
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| Deposited By: | A.N. Admin |
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Data collection parameters
| Chemical formula | C8 H6 O4 |
| Crystal morphology | Prism |
| Crystal system | monoclinic |
| Space group symbol | C2/c |
| Cell length a | 5.0016(10) |
| Cell length b | 14.214(3) |
| Cell length c | 9.5196(19) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 94.33(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0354 |
| R Factor (Obs) | 0.0423 |
| R Factor (All) | 0.0534 |
| Weighted R Factor (Obs) | 0.1116 |
| Weighted R Factor (All) | 0.1197 |
Citation: Horton, Peter N. and Taylor, Claire L and Hursthouse, Michael B. and Coles, Simon J. (2005) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/149)
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