Sample Originator: W. Motherwellb.
Data Collection: Simon J. Colesa
Structure Determination: Simon J. Colesa and Michael B. Hursthousea.
University of Southamptona
University College London b
C17H21NO4
InChI=1/C17H21NO4/c1-11(2)15-10-22-17(20)18(15)14-8-13(14)9-21-16(19)12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t13-,14+,15+/m0/s1
| Identification Number: | 10.5258/ecrystals/416 |
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| Date Created: | 09 May 2008 |
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| Deposited On: | 09 May 2008 08:15 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C17 H21 N O4 |
| Crystal morphology | Block |
| Crystal system | Orthorhombic |
| Space group symbol | C222(1) |
| Cell length a | 7.4019(2) |
| Cell length b | 15.8155(3) |
| Cell length c | 26.8034(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 | 0.0739 |
| R Factor (Obs) | 0.0339 |
| R Factor (All) | 0.0375 |
| Weighted R Factor (Obs) | 0.0763 |
| Weighted R Factor (All) | 0.0784 |
Citation: Coles, Simon J. and Hursthouse, Michael B. and Motherwell, W. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/416)
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