Sample Originator: Mark E. Wooda.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University of Exetera
University of Southamptonb
C11H14NO
InChI=1/C22H28N2O2/c1-21-22(2,24(14-15-25-21)18-20-11-7-4-8-12-20)26-16-13-23(21)17-19-9-5-3-6-10-19/h3-12H,13-18H2,1-2H3/t21-,22-/m1/s1
| Identification Number: | 10.5258/ecrystals/896 |
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| Controlled Keywords: | amino acids |
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| Date Created: | 09 December 2002 |
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| Deposited On: | 14 Aug 2013 23:09 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C22 H28 N2 O2 |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | Pca2(1) |
| Cell length a | 17.1687(3) |
| Cell length b | 6.09270(10) |
| Cell length c | 18.4778(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) | 0.0407 |
| R Factor (All) | 0.0559 |
| Weighted R Factor (Obs) | 0.1057 |
| Weighted R Factor (All) | 0.1156 |
Citation: Wood, Mark E. and Coles, Simon J. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/896)
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