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
C10H9NO2
InChI=1/C10H9NO2/c1-11-5-4-7-2-3-8(10(12)13)6-9(7)11/h2-6H,1H3,(H,12,13)
| Identification Number: | 10.5258/ecrystals/368 |
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| Date Created: | 06 July 2007 |
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| Deposited On: | 31 Jan 2008 13:05 |
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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 | C10 H9 N O2 |
| Crystal morphology | Cut Rod |
| Crystal system | Orthorhombic |
| Space group symbol | P2(1)2(1)2(1) |
| Cell length a | 7.3989(3) |
| Cell length b | 11.2007(4) |
| Cell length c | 20.2402(7) |
| 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 | 0.0634 |
| R Factor (Obs) | 0.0465 |
| R Factor (All) | 0.0678 |
| Weighted R Factor (Obs) | 0.1091 |
| Weighted R Factor (All) | 0.1212 |
Citation: Sample, Donated and Huth, Susanne L. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/368)
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