Stabilizing the Boat Conformation of Cyclohexane Rings
Siddharth Dasgupta, Yongchun Tang, J. Michael Moldowan, Robert M. K. Carlson, William A. Goddard III
1995J. Am. Chem. Soc., 117(24), 6532-653426cited
Abstract
In calculating the energetics for various conformers of the A, B, and C series of hopanoid hydrocarbons present in mature oil reservoirs, we find that the B series prefers the boat conformation (by 1.3-2.5 kcal/mol) for the D cyclohexane ring (see Figures 1 and 2). We analyze the structural elements responsible for stabilizing this boat conformation, identify the key features, and illustrate how one might stabilize boat conformations of other systems.
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Dasgupta, S., Tang, Y., Moldowan, J. M., Carlson, R. M. K., & III, W. A. G. (1995). Stabilizing the Boat Conformation of Cyclohexane Rings. *J. Am. Chem. Soc.*, *117*(24), 6532-6534. https://doi.org/10.1021/ja00129a017