Fig. 4.

The 33 cages that formed cleanly in this high-throughput study. Tri²Di³ cages are shown with orange carbons, Tri⁴Di⁶ with maroon, and Tri⁴Tri⁴ with teal. Remaining atom colouring is as follows; oxygen (red), bromine (brown), boron (pink), silicon and sulphur (yellow), and nitrogen (blue). Hydrogens are omitted. All structures are derived from computational predictions. For cages C20 and C21, Tri²Di³ cages were formed as shown, rather than the predicted Tri⁴Di⁶ cages. All other cages formed the predicted, targeted topology. Supplementary Fig. 4 shows structures for cages that were identified by solution analysis, but that were either impure or showed incomplete conversion of the starting materials. Supplementary Fig. 3 shows the computed structures for cages that did not form by experiment (red squares in Fig. 3c)