The intermolecular interactions experienced by the molecule, resulting from differences in pore environment, can have a profound effect on ∆E strain and ∆E con f . To understand how molecular geometry is affected by multiple guests present in the pore, we can look at the structures containing BBA-8,10,12-OMe (LIRLIL) and BBA-8,12-OMe (LIRLEH). Each structure has two guest molecules: guest A with high ∆E strain and low ∆E con f , and guest B with low ∆E strain and high ∆E con f (see Table ). The high ∆E strain of guest A and high ∆E con f of guest B results from distortion that breaks the intramolecular hydrogen bond within the molecule; in the case of guest A, it is simply intramolecular strain/distortion, whereas for guest B, the complete change in geometry to a conformation with no intramolecular hydrogen bonding is energetically costly (see Fig. ). The guest with high ∆E strain in each structure relaxes to a local conformational minimum stabilised by intramolecular hydrogen bonding. The number and type of interactions present in these two structures were recently discussed in a systematic study. In LIRLIL, interactions between BBA-8,10,12-OMe Guest A and the framework seem to be dominated by polar O-Ar interactions, while Guest B experiences mostly aromatic Ar-Ar, in addition to the long-range dispersion interactions present in the pore environment. Guest-guest interactions between A and B are also observed, which will contribute to the overall molecular strain and conformational changes from the lowest energy conformer.