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. 2021 Jun 23;12(28):9607–9618. doi: 10.1039/d1sc02690a

Dihedral angles among the core and aromatic rings in the arm moiety.

CPHAT CBPHAT TolHAT ThiaHAT (A site)/° ThiaHAT a (B site)/°
Core-I 23.5 25.5 25.6 28.2 28.2
Core-II 61.6 62.6
Core-III −16.0 −19.1 80.4 41.7
I and II 37.4 38.5
I–III −26.7 −15.1 55.5 65.6
II and III 18.8 76.6
a

Details are shown in Fig. S6.