Fig. 5: NMR characterization of (1)2.
a The top view of the DFT-optimized structure of (1)2. b The side view of the DFT-optimized structure of (1)2. The asymmetric unit is highlighted in orange for one layer and blue for another layer. The hydrogen atoms in the asymmetric units are numbered. c1H-NMR spectrum of (1)2 measured in C2Cl4D2. The calculated NMR spectrum of (1)2 is represented as red lines. Signal assignment is aided by 2D NMR spectroscopy and DFT calculations (see Supplementary Note 2, Supplementary Figures 17 and 27–30).
