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
C16H13NO
InChI=1/C16H13NO/c1-11-6-8-12(9-7-11)10-14-13-4-2-3-5-15(13)17-16(14)18/h2-10H,1H3,(H,17,18)/b14-10+
| Identification Number: | 10.5258/ecrystals/1324 |
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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 | C16 H13 N O |
| Crystal morphology | Fragment |
| Crystal system | triclinic |
| Space group symbol | P -1 |
| Cell length a | 8.1168(4) |
| Cell length b | 9.2556(4) |
| Cell length c | 9.3927(3) |
| Cell angle alpha | 62.290(2) |
| Cell angle beta | 80.933(3) |
| Cell angle gamma | 72.180(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0647 |
| R Factor (All) | 0.0924 |
| Weighted R Factor (Obs) | 0.1240 |
| Weighted R Factor (All) | 0.1419 |
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/1324)
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