As many of the chosen structures contain some guest and/or solvent disorder, multiple configurations have been optimised to consider any effects of positional changes in the pores of the CS. The resulting values of ∆E strain and ∆E con f vary by <1 kJ/mol between configurations; this small energy difference is consistent with the presence of disorder. For discussion, in all further analysis we only include the CS structure configurations with the lowest energy of the guest molecule. These results are summarised in Table . The full results are reported in Table .