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Figure 2 Schlegel diagrams of (I)–(VI) showing the location of the CF3 groups as black circles, the IUPAC lowest-locant numbers for the cage carbon atoms to which they are attached, the ribbons or loops of meta- and para-C6(CF3)2 edge-sharing hexagons (meta-C6(CF3)2 hexagons are indicated by the letter m), and the DFT-predicted relative energies. |