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
C8H5NO3
InChI=1/C8H5NO3/c10-5-6-4-8(12-9-6)7-2-1-3-11-7/h1-5H
| Identification Number: | 10.5258/ecrystals/371 |
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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 | C8 H5 N O3 |
| Crystal morphology | Prism |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 8.1628(3) |
| Cell length b | 7.9648(3) |
| Cell length c | 11.0496(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 95.230(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0536 |
| R Factor (Obs) | 0.0377 |
| R Factor (All) | 0.0430 |
| Weighted R Factor (Obs) | 0.0923 |
| Weighted R Factor (All) | 0.0978 |
Citation: Sample, Donated and Huth, Susanne L. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/371)
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