Sample Originator: Ian R. Butlera.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
University College of North Walesa
University of Southamptonb
C15H9N
InChI=1/C15H9N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H
| Controlled Keywords: | organic compounds |
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| Date Created: | 08 November 2005 |
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| Deposited On: | 14 Aug 2013 23:04 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
All hydrogen atoms were fixed.
Data collection parameters
| Chemical formula | C15 H9 N |
| Crystal morphology | Rod |
| Crystal system | Orthorhombic |
| Space group symbol | P2(1)2(1)2(1) |
| Cell length a | 3.83960(10) |
| Cell length b | 15.1075(8) |
| Cell length c | 17.1516(7) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0558 |
| R Factor (Obs) | 0.0479 |
| R Factor (All) | 0.0641 |
| Weighted R Factor (Obs) | 0.1035 |
| Weighted R Factor (All) | 0.1115 |
Citation: Butler, Ian R. and Horton, Peter N. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1111/)
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