Sample Originator: Donated Samplea.
Data Collection: Susanne L. Huthb and Michael B. Hursthouseb
Structure Determination: Susanne L. Huthb.
Sample kindly provided by Maybridgea
University of Southamptonb
C11H8O3
InChI=1/C11H8O3/c12-11(13)9-4-1-3-8(7-9)10-5-2-6-14-10/h1-7H,(H,12,13)
| Identification Number: | 10.5258/ecrystals/367 |
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| Date Created: | 08 June 2007 |
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| Deposited On: | 31 Jan 2008 13:10 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Depositor Comments
More information about this compound can be found at:
http://www.maybridge.com/
Data collection parameters
| Chemical formula | C11 H8 O3 |
| Crystal morphology | Split Plate |
| Crystal system | Monoclinic |
| Space group symbol | C2/c |
| Cell length a | 22.2448(16) |
| Cell length b | 5.1191(2) |
| Cell length c | 15.6074(10) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 95.838(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0300 |
| R Factor (Obs) | 0.0581 |
| R Factor (All) | 0.1063 |
| Weighted R Factor (Obs) | 0.1186 |
| Weighted R Factor (All) | 0.1359 |
Citation: Sample, Donated and Huth, Susanne L. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/367)
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