Quantum crystallography: The structure and C-C bond length alternation of [18]-annulene.

In my story about one of the molecules of the year, cyclo[48]carbon, I noted that the DFT method used in the literature to model the C-C bond length alternation around the ring (OX B3LYP30) had been re-calibrated against a remeasured crystal structure of C18H18 or [18]-annulene (below) in order to reproduce the observed values for […]