Information card for entry 7235518

Structure parameters

• Formula: C100.75 H123 N8 O17
• Calculated formula: C100.75 H123 N8 O17
• Title of publication: A 4-tert-butylcalix[4]arene tetrahydroxamate podand based on the 1-oxypiperidine-2-one (1,2-PIPO−) chelate. Self-assembly into a supramolecular ionophore driven by coordination of tetravalent zirconium or hafnium(iv)
• Authors of publication: Jewula, Pawel; Chambron, Jean-Claude; Penouilh, Marie-José; Rousselin, Yoann; Meyer, Michel
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 43
• Pages of publication: 22743
• a: 15.6125 ± 0.0002 Å
• b: 18.21 ± 0.0003 Å
• c: 18.3284 ± 0.0003 Å
• α: 90°
• β: 101.789 ± 0.014°
• γ: 90°
• Cell volume: 5100.9 ± 0.3 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 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: 0.0851
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1805
• Weighted residual factors for all reflections included in the refinement: 0.1978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No