Information card for entry 7117387

Structure parameters

• Common name: (all-R)cyclohexylhemicucurbit[8]uril
• Formula: C134.75 H221 N32 O23.75
• Calculated formula: C134.75 H221 N32 O23.75
• Title of publication: Template-controlled synthesis of chiral cyclohexylhemicucurbit[8]uril
• Authors of publication: E. Prigorchenko; M. Oeren; S. Kaabel; M. Fomitsenko; I. Reile; I. Jarving; T. Tamm; F. Topic; K. Rissanen; R. Aav
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 10921
• a: 16.51 ± 0.004 Å
• b: 27.312 ± 0.003 Å
• c: 17.957 ± 0.003 Å
• α: 90°
• β: 96.33 ± 0.03°
• γ: 90°
• Cell volume: 8048 ± 3 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No