The distribution of ∆E strain is detailed in Fig. for the 26 distinct guest geometries in the 16 optimised experimental CS structures outlined in Fig. . The distribution includes the strain energies of each independent molecule found within each CS structure configuration. Calculated CS strain energies range up to 26 kJ/mol and are concentrated in the lower end of the distribution: over a third (10 out of 26 guest geometries) have calculated ∆E strain < 5 kJ/mol and 59% of guest molecules (16 out of 26 guest geometries) have ∆E strain < 10 kJ/mol. These molecules adopt geometries energetically near to a gas phase optimised conformer in the CS structures.