Sample Originator: J. D. Kilburn, Michael B. Hursthouse, Simon J. Coles, M. B. Berry and L. Patient.
C15H28N2O2S1Si1
InChI=1/2C18H28N2O2SSi/c2*1-14-8-10-17(11-9-14)23(21,22)19-20-16-7-6-12-18(20,15(2)13-16)24(3,4)5/h2*8-11,16,19H,2,6-7,12-13H2,1,3-5H3/t2*16-,18-/m00/s1
| Identification Number: | 10.5258/ecrystals/86 |
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| Date Created: | 08 May 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
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.
Data collection parameters
| Chemical formula | C18 H28 N2 O2 S Si |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 8.9559(4) |
| Cell length b | 9.0489(4) |
| Cell length c | 24.0779(13) |
| Cell angle alpha | 85.016(2) |
| Cell angle beta | 88.2630(10) |
| Cell angle gamma | 87.538(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0776 |
| R Factor (Obs) | 0.0984 |
| R Factor (All) | 0.1175 |
| Weighted R Factor (Obs) | 0.2430 |
| Weighted R Factor (All) | 0.2550 |
Citation: Kilburn, J. D. and Hursthouse, Michael B. and Coles, Simon J. and Berry, M. B. and Patient, L. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/86)
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