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From the crystallographic data found in the Supporting Information, the two sides of the macrocycle twisted along the C-N⋯N-C axis are more specifically C20-N4⋯N5-C29 and C34-N6⋯N1-C1, and the third side that is nearly planar can be defined by C6-N2⋯ N3-C15.
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In every stable conformation of the macrocycle, the phenylene-diimine rings are coplanar, and we refer to these as the "plane of the macrocycle", recognizing that the macrocycle is not truly planar.
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