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
C5H4O3
InChI=1/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)
| Identification Number: | 10.5258/ecrystals/377 |
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| Date Created: | 02 October 2007 |
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| Deposited On: | 31 Jan 2008 13:07 |
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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 | C5 H4 O3 |
| Crystal morphology | Plate |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 5.1078(4) |
| Cell length b | 5.8535(5) |
| Cell length c | 16.0142(14) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.624(5) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0376 |
| R Factor (Obs) | 0.0407 |
| R Factor (All) | 0.0689 |
| Weighted R Factor (Obs) | 0.0939 |
| Weighted R Factor (All) | 0.1048 |
Citation: Sample, Donated and Huth, Susanne L. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/377)
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