Fig. 3: X-ray crystal structures of PF[n]CPPs (n = 10, 12, 14). | Nature Communications

Fig. 3: X-ray crystal structures of PF[n]CPPs (n = 10, 12, 14).

From: Perfluorocycloparaphenylenes

Fig. 3

a, b, c Structures of PF[10]CPP (a), PF[12]CPP (b), and PF[14]CPP (c) with thermal ellipsoids at 50% probability. Solvent molecules are omitted for clarity. d, e, f Packing structures of PF[10]CPP (d), PF[12]CPP (e) and PF[14]CPP (f); gray: carbon; green: fluorine. Solvent molecules are omitted for clarity. g The dihedral angles (θ) around the C–C single bonds of PFCPPs and corresponding CPPs31, 32. Calculations were performed at the B3LYP/6-31G(d) level of theory. Dihedral angles obtained from X-ray crystallography are averaged.

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