However, the potential for additional encapsulated molecules not detectable via standard NMR methods remains an open question. In our study, we meticulously enumerate the solvent molecules that are dynamically encapsulated in the final assembly by considering all chloroform molecules within a 6.5 Å sphere centered at the geometric center of the capsule. This analysis was performed for each configuration related to the assembled state, yielding a statistical distribution of the number of encapsulated solvent molecules, as illustrated in Figure . There is a potential caveat in NMR measurements: the signal integration for encapsulated molecules tends to focus on peaks closely associated with solvent-monomer interactions. It is plausible that central capsule-located solvent molecules, exhibiting a bulklike environment, do not present a distinct peak. Our data, highlighting eight encapsulated chloroform molecules in resorcinarenes capsules, exceeds prior experimental interpretations by two units. This suggests a feasible encapsulation of more than one molecule per monomer in the final structure, with some molecules potentially evading standard NMR characterization. For pyrogallolarene capsules, we observe a similar trend with a broader distribution of encapsulated solvent molecules, peaking at 9-10 molecules. Again, this contrasts with the majority of NMR studies, which estimate 6-7 encapsulated chloroform molecules, marking a deviation of approximately two molecules.