Fig. 5: Theoretical calculation.

Interaction energy (∆E) between the triphenylene unit with Bz a and Cy b. The adjacent phenyl groups of the triptycene moiety in JUC-641 with Bz c and Cy d. The adjacent phenyl groups of the triptycene moiety in JUC-642 with Bz e and Cy f. The dipyramidal region of the triptycene in JUC-641 with Bz g and Cy h. The dipyramidal region of the triptycene in JUC-642 with Bz i and Cy j.