Sample Originator: Chris D. Gabbutta.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University of Leedsa
University of Southamptonb
C25H31NO3
InChI=1/C25H31NO3/c1-16(2)26(17(3)4)24(19-13-11-18(5)12-14-19)25(28-6)23-15-21(27)20-9-7-8-10-22(20)29-23/h7-17,24-25H,1-6H3/t24-,25+/m0/s1
| Controlled Keywords: | heterocycles |
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| Date Created: | 07 October 2002 |
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| Deposited On: | 16 Feb 2010 14:43 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C25 H31 N O3 |
| Crystal morphology | |
| Crystal system | orthorhombic |
| Space group symbol | P2(1)2(1)2(1) |
| Cell length a | 7.8264(3) |
| Cell length b | 13.1709(6) |
| Cell length c | 20.7532(11) |
| 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) | 0.0403 |
| R Factor (All) | 0.0581 |
| Weighted R Factor (Obs) | 0.0847 |
| Weighted R Factor (All) | 0.0902 |
Citation: Gabbutt, Chris D. and Coles, Simon J. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1117/)
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