Sample Originator: Ian Cunnighama.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University of Surreya
University of Southamptonb
C12H12.50N0.50O
InChI=1/C24H25NO2/c26-23(19-11-3-1-4-12-19)25(24(27)20-13-5-2-6-14-20)22-17-9-15-18-10-7-8-16-21(18)22/h1,3-4,9,11-13,15,17H,2,5-8,10,14,16H2
| Identification Number: | 10.5258/ecrystals/885 |
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| Controlled Keywords: | asymmetric synthesis |
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| Date Created: | 03 July 2003 |
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| Deposited On: | 08 Nov 2013 15:16 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C24 H25 N O2 |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | P2(1)2(1)2(1) |
| Cell length a | 8.2378(5) |
| Cell length b | 9.2872(5) |
| Cell length c | 25.4354(13) |
| 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 | |
| R Factor (Obs) | 0.0634 |
| R Factor (All) | 0.0987 |
| Weighted R Factor (Obs) | 0.1711 |
| Weighted R Factor (All) | 0.1938 |
Citation: Cunnigham, Ian and Coles, Simon J. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/885)
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