Relative Gibbs free energies (ΔG, in kcal mol⁻¹) and transferred charges (e, in a.u.) for the species depicted in Scheme 2.

Species	ΔGa	q CT b (e)
TS-endo	13.43	0.62
TS-exo	16.06	0.81
TS-endo@CM	17.58	0.16
TS-exo@CM	20.17	0.27
6-endo@CM	−6.12	—
6-exo@CM	−6.20	—

^aReferring to those of the host and the corresponding non-encapsulated guests.

^bIn terms of the residual charge of the diene 4 fragment in the transition state.