Fig. 3: NMR characterization of 1.
a Top view of DFT-optimized 1. The asymmetric unit is highlighted in orange. b. Side view of DFT-optimized 1. All hydrogens in the asymmetric unit are labeled from a to h. The hexagonal rings of 1 are labeled by Roman numerals. c. 1H-NMR spectrum of 1 measured in C2Cl4D2. The theoretical NMR spectrum of 1 is represented by the short vertical red lines below. Signal assignment is aided by 2D NMR spectroscopy (see Supplementary Note 1, Supplementary Figures 24–26).
