Information card for entry 7124507

Structure parameters

• Common name: cyclohexanohemicucurbit[6]uril complex with zinc tetraphenylporphyrin
• Formula: C185 H206 N32 O14 Zn2
• Calculated formula: C185 H206 N32 O14 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: 12.859 ± 0.0003 Å
• b: 13.8291 ± 0.0004 Å
• c: 24.3771 ± 0.0006 Å
• α: 85.237 ± 0.002°
• β: 77.006 ± 0.002°
• γ: 85.321 ± 0.002°
• Cell volume: 4200.51 ± 0.19 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No