journal article Jul 15, 2010

Enyne [4 + 4] Photocycloaddition: Bridged 1,2,5-Cyclooctatrienes

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These calculations were performed at the RHF/6-31G* level (Spartan, Wavefunction Inc). Higher level calculations and a more comprehensive analysis of the transition state barriers are in progress(Duncan, J. A.; Lafortune, M. C.Private communication).
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Compound27crystallized in the centrosymmetric, monoclinic space group,P2(1)/n, witha= 13.688(1),b= 9.8076(7),c= 15.774(1) Å, β = 90.763(3)°,V= 2117.4(3) Å3. Data collection gave 8075 unique reflections and the goodness of fit onF2 was 1.016 withR1(wR2) 0.0647(0.1582) for [Iθ > 2(I)] and with largest difference peak and hole of 0.835 and −0.694 e/Å3. Additional details can be found in the Cambridge Crystallographic Data Centre deposition no. 7670069.(http://www.ccdc.cam.ac.uk/).
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Details
Published
Jul 15, 2010
Vol/Issue
12(15)
Pages
3296-3299
Cite This Article
Svitlana Kulyk, William G. Dougherty, W. Scott Kassel, et al. (2010). Enyne [4 + 4] Photocycloaddition: Bridged 1,2,5-Cyclooctatrienes. Organic Letters, 12(15), 3296-3299. https://doi.org/10.1021/ol1014174