Sample Originator: Mark E. Wooda.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
University of Exetera
University of Southamptonb
C17H21NO3
InChI=1/C17H21NO3/c1-5-9-13-15(20)21-16(17(2,3)4)18(13)14(19)12-10-7-6-8-11-12/h5-8,10-11,13,16H,1,9H2,2-4H3/t13-,16+/m0/s1
| Identification Number: | 10.5258/ecrystals/980 |
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| Controlled Keywords: | heterocycles |
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| Date Created: | 20 June 2003 |
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| Deposited On: | 08 Nov 2013 15:15 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C17 H21 N O3 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1) |
| Cell length a | 5.9385(8) |
| Cell length b | 13.0338(19) |
| Cell length c | 10.4518(16) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 104.583(6) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0387 |
| R Factor (Obs) | 0.0735 |
| R Factor (All) | 0.0907 |
| Weighted R Factor (Obs) | 0.1785 |
| Weighted R Factor (All) | 0.1968 |
Citation: Wood, Mark E. and Horton, Peter N. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/980)
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