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Triptycene Walled Glycoluril Trimer: Synthesis and Recognition Properties.

Sandra Zebaze NdendjioWenjin LiuNicolas YvanezZihui MengPeter Y ZavalijLyle Isaacs
Published in: New journal of chemistry = Nouveau journal de chimie (2019)
We report the synthesis of a new acyclic CB[n]-type host (1) that features a central glycoluril trimer capped by triptycene sidewalls. Host 1 has good solubility in water (≈ 3 mM) and does not undergo strong self-association (Ks = 480 M-1). We probed the geometry of the complexes by analyzing the complexation induced changes in the 1H NMR spectra and measured the complexation thermodynamics by isothermal titration calorimetry. The conformation of 1 and its packing in the solid state was revealed by single crystal x-ray diffraction measurements.
Keyphrases
  • solid state
  • molecular dynamics simulations
  • high resolution
  • crystal structure
  • electron microscopy
  • density functional theory
  • magnetic resonance
  • computed tomography
  • magnetic resonance imaging