Transition temperatures were determined by polarised optical microscopy (POM, photomicrographs in ESI) and differential scanning calorimetry (DSC) with additional small angle X-ray scattering (SAXS) studies on selected compounds. Numerical integration of Xray scattering data was performed in Matlab. Electronic structure calculations were performed in Gaussian G09 rev E01, individual conformers were aligned using the VMD software package and rendered using Qutemol. Details of the molecular dynamics (MD) simulation methods are given in the ESI.