Comparing the position-energy relationships for each carbon atom, we found notable differences in the energetic landscapes of endocyclic carbon atoms (C1, C3, C4, and C5) versus exocyclic carbon atoms (C6) (Figure ). Exocyclic carbon atoms have more favorable energetic contributions, with an average contribution of -0.5 kcal/mol, whereas endocyclic carbons have less favorable energy contributions, with an average of +0.5 kcal/mol (Figure and Supporting Information Table ). These energetic differences can be attributed to two factors. First, exocyclic carbon atoms have two alkyl hydrogen atoms capable of forming favorable contacts, and second, the exocyclic CH groups can rotate to form more optimal CH-p interactions, unlike the more conformationally restricted endocyclic CH groups (Supporting Information Figures and).