Sample Originator: Ian Cunnighama.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
University of Surreya
University of Southamptonb
C21H21NO2
InChI=1/C21H21NO2/c1-15(2)20(23)22(21(24)17-10-4-3-5-11-17)19-14-8-12-16-9-6-7-13-18(16)19/h3-5,8,10-12,14H,1,6-7,9,13H2,2H3
| Identification Number: | 10.5258/ecrystals/886 |
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| Controlled Keywords: | asymmetric synthesis |
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| Date Created: | 07 October 2003 |
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| Deposited On: | 14 Aug 2013 23:41 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C21 H21 N O2 |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | Pbca |
| Cell length a | 14.0392(3) |
| Cell length b | 13.8109(3) |
| Cell length c | 16.9908(4) |
| 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) | 0.0471 |
| R Factor (All) | 0.0700 |
| Weighted R Factor (Obs) | 0.1025 |
| Weighted R Factor (All) | 0.1136 |
Citation: Cunnigham, Ian and Horton, Peter N. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/886)
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