Sample Originator: Peter N. Horton, Michael B. Hursthouse, A. L. Winters, R. Nash, A. J. Thornhill, L. M. Hall, M. Dennis, P. J. Murphy and Mark E. Light.
C14H25N3O5
InChI=1/2C14H24N3O5/c2*1-13(2,3)21-11(19)16-10-15-7-9(8-18)17(10)12(20)22-14(4,5)6/h2*9,18H,7-8H2,1-6H3/b2*16-10+/t2*9-/m10/s1
| Identification Number: | 10.5258/ecrystals/36 |
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| Controlled Keywords: | guanidines, epoxides, iodocyclisations, -galactosidase inhibition |
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| Date Created: | 22 March 2002 |
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| Deposited On: | 21 Jan 2008 15:28 |
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| Deposited By: | A.N. Admin |
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Depositor Comments
The synthesis of a range of cyclic guanidines via intramolecular ring opening of epoxides or iodocyclisation is reported. A preliminary investigation of the glycosidase inhibitory activity of these substances is also discussed.CCDC 190508
Data collection parameters
| Chemical formula | C14 H24 N3 O5 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P21/c |
| Cell length a | 19.380(2) |
| Cell length b | 13.2761(11) |
| Cell length c | 13.0097(11) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 91.600(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 293(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0849 |
| R Factor (All) | 0.1774 |
| Weighted R Factor (Obs) | 0.2158 |
| Weighted R Factor (All) | 0.2612 |
Citation: Horton, Peter N. and Hursthouse, Michael B. and Winters, A. L. and Nash, R. and Thornhill, A. J. and Hall, L. M. and Dennis, M. and Murphy, P. J. and Light, Mark E. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/36)
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