Sample Originator: Michael B. Hursthouse, R. Holmes, Simon J. Coles and D. J. Price.
C16H10O8
InChI=1/C16H10O8/c17-13(18)9-1-7(2-10(5-9)14(19)20)8-3-11(15(21)22)6-12(4-8)16(23)24/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
| Identification Number: | 10.5258/ecrystals/119 |
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| Date Created: | 17 January 2001 |
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| Deposited On: | 21 Jan 2008 15:29 |
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| Deposited By: | A.N. Admin |
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Depositor Comments
The crystal structure of biphenyl-3,3',5,5'-tetracarboxylic acid, C16H10O8, forms a supramolecular assembly of three interpenetrating corrugated sheets.
Data collection parameters
| Chemical formula | C16 H10 O8 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 8.1662(7) |
| Cell length b | 14.3524(14) |
| Cell length c | 12.0930(10) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 109.590(4) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0391 |
| R Factor (Obs) | 0.0669 |
| R Factor (All) | 0.1848 |
| Weighted R Factor (Obs) | 0.1468 |
| Weighted R Factor (All) | 0.2034 |
Citation: Hursthouse, Michael B. and Holmes, R. and Coles, Simon J. and Price, D. J. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/119)
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