u/ECatPlay

wB97X-D/6-311+G** optimized geometry, HOMO, HOMO-1, HOMO-5, and Electrostatic Potential Surface

Just synthesized by Otsuki et. al., and summarized in Chemical & Engineering News article:

This molecule lives on the brink of self-destruction - Chemists coax strong electrophile to coexist peacefully with nucleophilic groups

The diamondoid notation used by Karttunen, Linnolahti, and Pakkanen, is analogous to the notation for endohedral fullerenes: using an @ sign to indicate one molecule is inside a larger shell. But instead of the shells being separate fullerene molecules, the carbons are all bonded together in 3 dimensions, like in diamond, and the surface is terminated with hydrogens. But in this case, with hydroxyls.

Beautiful, but must have been cursed because Fujii and Maruyama's original paper was withdrawn.

B3LYP/6-31G* geometry optimization of the 112 carbon fragment illustrated in the paper.

B3LYP/6-31G* optimized geometries of an 84 carbon segment derived from Nanotubanol.

The laterally oriented epoxides isomer is more stable than the longitudinally oriented epoxides isomer, by 14 kcal per epoxide.

MMFF Geometries. Most stable conformer has all OH's aligned so H-bonds form a band of 5-membered rings around the tube.

As requested by u/Guess-Competitive.

Fullerenol C60, only $252 per gram from Iris Biotech

(They had a heck of a time trying to add the -OH bonds in back, without overlapping something in front. I think they just gave up.)