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. 2014 May 27;111(23):8374–8379. doi: 10.1073/pnas.1406518111

Fig. 2.

Fig. 2.

Molecular structures from synchrotron X-ray diffraction analysis of a single crystal. For molecular structures viewed from the top, the hexyl chains and C60 are shown as wireframe diagrams, and the chrysenylenes are shown in ORTEP diagrams with thermal ellipsoids at the 30% level. The numberings of carbon atoms at the 2- and 8-positions are also shown. For the packing structures viewed from the side, the (P)- and (M)-structures are colored in red and blue, respectively. Solvent molecules with disorders are omitted for clarity. (A) Molecular and packing structures of (12,8)-[4]CC2,8. For the molecular structure, the (M)-structure is shown. Disordered hexyl chains are found, and one representative structure is shown. See CCDC 993075 for the crystal data. (B) Molecular and packing structures of (M)-(12,8)-[4]CC2,8⊃C60. One of the representative structures for four disordered C60 molecules (25% occupancy) and hexyl chains are shown. See Fig. 3 for the details of the C60 disorders and CCDC 993074 for the crystal data.