Sample Originator: Riccardo Montisa.
Data Collection: Rachel Cridlinb and Peter N. Hortona
Structure Determination: Rachel Cridlinb, Peter N. Hortona and Louise Malea.
University of Southamptona
Richard Huish Collegeb
C7 H5 N O5
InChI=1/C7H5NO5/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,9H,(H,10,11)
| Identification Number: | 10.5258/ecrystals/343 |
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| Date Created: | 24 July 2007 |
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| Deposited On: | 21 Jan 2008 15:31 |
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| Deposited By: | Dr Louise Male |
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Data collection parameters
| Chemical formula | C7 H5 N O5 |
| Crystal morphology | Block |
| Crystal system | Triclinic |
| Space group symbol | P -1 |
| Cell length a | 5.1231(2) |
| Cell length b | 8.7759(3) |
| Cell length c | 9.2683(3) |
| Cell angle alpha | 62.246(2) |
| Cell angle beta | 75.259(2) |
| Cell angle gamma | 82.642(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0388 |
| R Factor (All) | 0.0443 |
| Weighted R Factor (Obs) | 0.1011 |
| Weighted R Factor (All) | 0.1055 |
Citation: Montis, Riccardo and Cridlin, Rachel and Horton, Peter N. and Male, Louise (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/343)
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