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The structure of enantiomers 1α and 1β was assigned on the basis of their CD signature compared to literature data for related SubPcs (Ref. [2a]), as well as on their DFT-computed theoretical CD spectra.
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40
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note
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See the Supporting Information for further details.
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41
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85028166017
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note
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Data for 1β. Racemic 1 or pure enantiomers 1α or 1β display identical spectroscopic features in the different solvents studied.
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note
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The monomer used to build up the oligomers and the relative disposition of the adjacent molecules along the stack were obtained from the ωB97X-D/6-31G∗∗fully optimized structure of the heptamer (see the Supporting information for full computational details).
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