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
C5H5NO3
InChI=1/C5H5NO3/c1-3-2-4(5(7)8)9-6-3/h2H,1H3,(H,7,8)
| Identification Number: | 10.5258/ecrystals/370 |
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| Date Created: | 08 June 2007 |
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| Deposited On: | 31 Jan 2008 13:09 |
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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 H5 N O3 |
| Crystal morphology | Cut Block |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 6.2391(2) |
| Cell length b | 13.8231(5) |
| Cell length c | 6.4019(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 96.887(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0414 |
| R Factor (Obs) | 0.0424 |
| R Factor (All) | 0.0461 |
| Weighted R Factor (Obs) | 0.1120 |
| Weighted R Factor (All) | 0.1153 |
Citation: Sample, Donated and Huth, Susanne L. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/370)
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