X‐Ray Diffraction Evidence for a Cyclohexatriene Motif in the Molecular Structure of Tris(bicyclo[2.1.1]hexeno)benzene: Bond Alternation after the Refutation of the Mills–Nixon Theory

Abstract

Cyclohexatriene lost, cyclohexatriene regained! Recently the Mills–Nixon postulate concerning the structure of benzene derivatives was recognized to be invalid. A new view on strain-induced bond localization in benzene led to the design and synthesis of tris(bicyclo[2.1.1]hexeno)benzene (1), which shows significant distortion toward a cyclohexatriene geometry.