Sample Originator: Keith Smitha.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University College of Swanseaa
University of Southamptonb
C21H27NO4
InChI=1/C21H27NO4/c1-21(2,3)20(24)22-13-15-7-6-8-17(19(15)26-5)18(23)14-9-11-16(25-4)12-10-14/h6-12,18,23H,13H2,1-5H3,(H,22,24)/t18-/m1/s1
| Controlled Keywords: | organic compounds |
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| Date Created: | 18 April 2005 |
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| Deposited On: | 17 Feb 2010 13:25 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C21 H27 N O4 |
| Crystal morphology | Plate |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 14.5879(19) |
| Cell length b | 10.4825(9) |
| Cell length c | 12.641(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 91.815(16) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | 0.0397 |
| R Factor (Obs) | 0.0615 |
| R Factor (All) | 0.1023 |
| Weighted R Factor (Obs) | 0.1343 |
| Weighted R Factor (All) | 0.1516 |
Citation: Smith, Keith and Coles, Simon J. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1129/)
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