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. Author manuscript; available in PMC: 2010 Aug 7.
Published in final edited form as: J Org Chem. 2009 Aug 7;74(15):5369–5380. doi: 10.1021/jo900856x

Figure 9.

Figure 9

Side and top views of the optimized geometries of 4b at the HF/3–21G* level of theory showing the dodecyl group outside (top) and inside (bottom) of the β-CD cavity and their relative bottom-of-the-well energies.