Sample Originator: Patrick J. Murphya.
Data Collection: Mark E. Lightb and Michael B. Hursthouseb
Structure Determination: Mark E. Lightb.
University of North Walesa
University of Southamptonb
C22H32N4O4
InChI=1/C11H17N2O2/c1-3-7-12-11(15)9-6-5-8-13(9)10(14)4-2/h4,7,9,12H,2-3,5-6,8H2,1H3/b12-7+/t9-/m0/s1
| Controlled Keywords: | organic compounds |
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| Date Created: | 15 August 2003 |
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| Deposited On: | 14 Aug 2013 22:56 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C22 H32 N4 O4 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | C2 |
| Cell length a | 16.7084(12) |
| Cell length b | 6.9925(5) |
| Cell length c | 11.3651(8) |
| Cell angle alpha | 90.000 |
| Cell angle beta | 123.721(3) |
| Cell angle gamma | 90.000 |
| Data collection temperature | 153(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0444 |
| R Factor (All) | 0.0512 |
| Weighted R Factor (Obs) | 0.1140 |
| Weighted R Factor (All) | 0.1194 |
Citation: Murphy, Patrick J. and Light, Mark E. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1153/)
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