Sample Originator: M. Bradley, Michael B. Hursthouse, A. Russell, Mark E. Light and G. S. Mandair.
C22H28N4O2
InChI=1/C22H28N4O2/c1-21(2,3)14-22(4,5)25-18-17(26-13-7-12-23-20(26)24-18)15-8-10-16(11-9-15)19(27)28-6/h7-13,25H,14H2,1-6H3
| Identification Number: | 10.5258/ecrystals/130 |
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| Date Created: | 18 January 2001 |
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| Deposited On: | 21 Jan 2008 15:29 |
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| Deposited By: | A.N. Admin |
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Depositor Comments
Multi-component reactions between aldehydes, isonitriles and 2-aminoazines do not always give the expected products
Data collection parameters
| Chemical formula | C22 H28 N4 O2 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 12.6651(5) |
| Cell length b | 13.6078(7) |
| Cell length c | 12.3362(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 95.807(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | 0.0481 |
| R Factor (Obs) | 0.0443 |
| R Factor (All) | 0.0644 |
| Weighted R Factor (Obs) | 0.1081 |
| Weighted R Factor (All) | 0.1216 |
Citation: Bradley, M. and Hursthouse, Michael B. and Russell, A. and Light, Mark E. and Mandair, G. S. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/130)
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