X-ray data for crystal structure of cucurbit[7]uril and histidine complexes

X-ray diffraction (XRD) data were collected using colourless, transparent, and well-formed crystals on an Agilent SuperNova diffractometer, which was controlled by the CrysAlis PRO software and equipped with a CuKα micro-focus X-ray source (λ=1.54 Å, 50.0 kV, and 0.8 mA) and a HyPix detector. The experiments were carried out at 100.0(2) K controlled using an Oxford Cryosystems cooling device. The crystals were placed on a MiTeGen mount with a droplet of immersion oil and immediately cooled. Each crystal was positioned 54.0 mm from the detector. Indexing and integration were performed using the CrysAlis PRO software.