Sample Originator: Romanus O Onyeaboa, Mark Edwardsa and John Spencera.
Data Collection: Graham J Tizzardb and Simon J Colesb
Structure Determination: Graham J Tizzardb.
University of Greenwicha
University of Southamptonb
C15H11N2O3
InChI=1/C15H11N2O3/c18-15-13(12-3-1-2-4-14(12)16-15)9-10-5-7-11(8-6-10)17(19)20/h1-9H,(H,16,18)(H,19,20)/b13-9+
| Identification Number: | 10.5258/ecrystals/1325 |
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| Controlled Keywords: | Organic |
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| Date Created: | 21 September 2010 |
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| Deposited On: | 19 Mar 2012 14:23 |
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| Deposited By: | Dr G J Tizzard |
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Data collection parameters
| Chemical formula | C15 H10 N2 O3 |
| Crystal morphology | Plate |
| Crystal system | monoclinic |
| Space group symbol | P 21/c |
| Cell length a | 9.9484(11) |
| Cell length b | 7.9134(10) |
| Cell length c | 16.013(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 104.340(8) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0623 |
| R Factor (All) | 0.1026 |
| Weighted R Factor (Obs) | 0.1246 |
| Weighted R Factor (All) | 0.1497 |
Citation: Onyeabo, Romanus O and Edwards, Mark and Spencer, John and Tizzard, Graham J and Coles, Simon J (2010) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1325)
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