1. Lemniscular (Möbius) phyrins may be good calibrants of DFT Methods (relatively easy synthesis, crystallography and NMR)
  2. The built-in twists may attenuate π overlaps and hence reduce π-distortivity.
  3. Bond delocalization may persist beyond 38π-electrons, and possibly beyond 72!
  4. Planar annulenes probably show a lower alternation onset at between 22-26 π-electrons (greater π distortivity).
  5. B3LYP is probably the best (2nd rung) DFT method for predicting the aromatic edge of chaos. B2GP-B2PLYP/TZVPP 5th rung needs calibration to 38π-electrons and beyond.
  6. BUT: still a discrepancy between the predicted structure/NMR and measured NMR for [18]annulene.