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(A) Rotatable bonds of our compound. (B) Potential energy surfaces calculated at the B3LYP/6-31(d) level. The ΔE from 0 to 5 kJ/mol is colored in blue, 5–10 kJ/mol in green, 10–15 kJ/mol in brown, and >15 kJ/mol in red. (C) Torsional distributions in small molecule crystal structures from the CSD data (* = C–R or N).
