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Beilstein J. Org. Chem. 2019, 15, 1268–1274, doi:10.3762/bjoc.15.124
Graphical Abstract
Scheme 1: Reaction of 2,4-dimethylglycoluril and m-xylylene dibromide.
Figure 1: Molecular structures of 1a and 1b.
Figure 2: Conformers of macrocycles 1a, 1b optimized at the CAM-B3LYP/6-31G(d) level of theory.
Figure 3: 1H NMR spectrum of 1a in MeCN-d3 measured at −40 °C. #Signal of water. *Signal of acetonitrile.
Figure 4: 2D EXSY spectra (ROESY cross-peaks in blue, EXSY cross-peaks in red) measured in MeCN-d3 at −40 °C....
Figure 5: X-ray crystal structure of 1b-1 (left), layered structure of crystal packing (right).