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An anthracene cyclic hexamer was synthesized by the coupling reaction as a macrocyclic hydrocarbon host. This disk-shaped host included a C60 guest in 1:1 ratio to form a Saturn-type supramolecular complex in solution and in crystals. X-ray analysis unambiguously revealed that the guest molecule was accommodated in the middle of the host cavity with several CH??????????? contacts. The association constant Ka determined by NMR titration measurements was 2.3??103 ???L???mol-1 at 298???K in toluene. The structural features and the role of CH??????????? interactions are discussed with the aid of DFT calculations.

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Bachrach, S. M., Chem. Commun. 2019, 55, 3650-3653Contributed by Steven BacharachReposted from Computational Organic Chemistry with permissionFor the past twelve years, I have avoided posting on any of my own papers, but I will stoop to some shameless promotion...
For the past twelve years, I have avoided posting on any of my own papers, but I will stoop to some shameless promotion to mention my latest paper,1 since it touches on some themes I have discussed in the past.Back in 2011, Iwamoto, et al. prepared the complex...