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
C9H10O3
InChI=1/C9H10O3/c10-6-7-2-1-3-8-9(7)12-5-4-11-8/h1-3,10H,4-6H2
| Identification Number: | 10.5258/ecrystals/375 |
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| Date Created: | 30 September 2007 |
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| Deposited On: | 31 Jan 2008 13:06 |
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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 | C9 H10 O3 |
| Crystal morphology | Cut Shard |
| Crystal system | Orthorhombic |
| Space group symbol | Pna2(1) |
| Cell length a | 7.8484(6) |
| Cell length b | 8.3983(7) |
| Cell length c | 24.1255(18) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0630 |
| R Factor (Obs) | 0.0938 |
| R Factor (All) | 0.1106 |
| Weighted R Factor (Obs) | 0.2549 |
| Weighted R Factor (All) | 0.2736 |
Citation: Sample, Donated and Huth, Susanne L. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/375)
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