Sample Originator: Simon J. Coles, Michael B. Hursthouse, M. B. Berry, L. Patient and J. D. Kilburn.
C18H28N2O2S1Si1
InChI=1/C18H28N2O2SSi/c1-14-7-9-16(10-8-14)23(21,22)19-20-17(3)11-12-18(20,15(2)13-17)24(4,5)6/h7-10,19H,2,11-13H2,1,3-6H3/t17-,18-/m1/s1
| Identification Number: | 10.5258/ecrystals/85 |
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| Date Created: | 23 January 2001 |
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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
Silylated methylenecyclopropyl hydrazones on treatment with BF3·Et2O cyclise to give heterocyclic products involving a novel sequence of hydride and silyl shifts via a series of increasingly stable cationic intermediates.
DOI: 10.1039/b306636c
Data collection parameters
| Chemical formula | C18 H28 N2 O2 S Si |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 14.291(3) |
| Cell length b | 11.709(2) |
| Cell length c | 13.341(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 115.86(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | 0.0925 |
| R Factor (Obs) | 0.0691 |
| R Factor (All) | 0.1251 |
| Weighted R Factor (Obs) | 0.1625 |
| Weighted R Factor (All) | 0.1942 |
Citation: Coles, Simon J. and Hursthouse, Michael B. and Berry, M. B. and Patient, L. and Kilburn, J. D. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/85)
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