It is not uncommon for guest molecules to soak into several exchange sites within the pores of the CS. There are 8 CS structures in this study which feature multiple guests in the asymmetric unit of the unit cell. Energetic differences between guest molecules in the same CS structure are observed, resulting from molecules experiencing different interactions in each exchange site. For all but one CS structure with multiple guests, ∆∆E total is below 5 kJ/mol (Table ), but is much larger, ∆∆E total = 11.68 kJ/mol, in the CS structure of vanillin (XAZNUK).