Fig. 5: Computational structural analysis of model 2′,3′-trans-BNAs 23a, 24a, 28a, and 29a (theoretical calculations were carried out at the DFT ωB97XD/6-31 G* level).

This figure shows the most stable structures of each of the model compounds 23a, 24a, 28a, and 29a, and the torsion angles of the phosphate backbone in the obtained structures are summarized in Table 4.