Sample Originator: J. D. Kilburn, Michael B. Hursthouse, Simon J. Coles, M. B. Berry and L. Patient.
C18H28N2O2S1Si1
InChI=1/C18H28N2O2SSi/c1-13-6-9-16(10-7-13)23(21,22)19-20-15-8-11-17(24(3,4)5)18(20)14(2)12-15/h6-7,9-10,15,17-19H,2,8,11-12H2,1,3-5H3/t15-,17-,18-/m0/s1
| Identification Number: | 10.5258/ecrystals/88 |
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| Date Created: | 08 April 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.
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 | 9.4824(2) |
| Cell length b | 22.6655(6) |
| Cell length c | 10.0368(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 116.1400(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0695 |
| R Factor (Obs) | 0.0474 |
| R Factor (All) | 0.0647 |
| Weighted R Factor (Obs) | 0.1236 |
| Weighted R Factor (All) | 0.1348 |
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/88)
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