Sample Originator: Ian A. Fallisa.
Data Collection: Mark E. Lightb and Michael B. Hursthouseb
Structure Determination: Mark E. Lightb.
Cardiff Universitya
University of Southamptonb
C20H26N6O4
InChI=1/2C20H28N6O4/c2*27-25(28)19-7-3-1-5-17(19)23-13-9-21-11-15-24(16-12-22-10-14-23)18-6-2-4-8-20(18)26(29)30/h2*1-8,21-22H,9-16H2,(H,27,28)(H,29,30)
| Controlled Keywords: | surfactants |
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| Date Created: | 11 March 2002 |
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| Deposited On: | 17 Feb 2010 16:04 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
All hydrogen atoms were placed in idealised positions and refined using a riding model.
Data collection parameters
| Chemical formula | C20 H26 N6 O4 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P21/c |
| Cell length a | 15.449(6) |
| Cell length b | 9.065(4) |
| Cell length c | 29.222(16) |
| Cell angle alpha | 90.000 |
| Cell angle beta | 96.233(1) |
| Cell angle gamma | 90.000 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0690 |
| R Factor (All) | 0.1763 |
| Weighted R Factor (Obs) | 0.1644 |
| Weighted R Factor (All) | 0.2305 |
Citation: Fallis, Ian A. and Light, Mark E. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1078/)
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