Information card for entry 7124508

Structure parameters

• Common name: cyclohexanohemicucurbit[8]uril complex with zinc tetraphenylporphyrin
• Formula: C154.67 H158.67 Cl4 N24 O8.67 Zn2
• Calculated formula: C154.667 H158.667 Cl4 N24 O8.66667 Zn2
• Title of publication: Supramolecular chirogenesis in zinc porphyrins by enantiopure hemicucurbit[n]urils (n = 6, 8)
• Authors of publication: Ustrnul, Lukaš; Kaabel, Sandra; Burankova, Tatsiana; Martõnova, Jevgenija; Adamson, Jasper; Konrad, Nele; Burk, Peeter; Borovkov, Victor; Aav, Riina
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 17.6254 ± 0.0002 Å
• b: 18.115 ± 0.0002 Å
• c: 35.0077 ± 0.0004 Å
• α: 86.071 ± 0.001°
• β: 82.833 ± 0.001°
• γ: 87.195 ± 0.001°
• Cell volume: 11054.8 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1809
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 0.827
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No