To resolve X's signals (some of which overlap with T's signals), we recorded a series of 1 H NMR spectra in the presence of various amounts of Na2SO4. The sulfate dianion interacts relatively strongly with the dodecacationic T (by entering its cavity and/or binding to its acidic imidazole protons via hydrogen bonding ), thus shifting its NMR signals. For example, Figure shows the NMR spectrum of the same T+X mixture as Figure , but in the presence of 2 equiv Na2SO4 per T. These experiments allowed us to conclude that X's spectrum in the aromatic region features four signals of similar intensities-that is, X contains four nonequivalent aromatic protons in a 1:1:1:1 ratio, thus mimicking the NMR spectrum of free TImB ligand in an organic solvent (Figure ). This observation indicates that X is a species of higher symmetry than T (whose TImB ligands give rise to eight peaks). DOSY experiments revealed that X's and T's diffusion coefficients are practically identical (Figure ), suggesting that T and X are isomers. Templating the formation of the metastable cage isomer using Z-azobenzenes and Z-styrenes. Previously, we investigated the isomerization of various azobenzene derivatives encapsulated within T. We have now revisited these results and analyzed the old NMR spectra of T (containing minute amounts of X) in the presence of E and Z forms of azobenzene 1 (Figure ). This analysis shows that not only T but also X exhibits three distinct sets of signals in the presence of i) E-1, ii) Z-1, and iii) in the absence of 1, indicating the ability of both T and X to interact with both isomers of azobenzene.