Information card for entry 7204190

Structure parameters

• Formula: C168 H243 O31 P6
• Calculated formula: C168 H243 O31 P6
• Title of publication: Synthesis, characterisation and extraction behaviour of calix[4]arene-based phosphonic acidsElectronic supplementary information (ESI) available: Tables S1‒S3 and Figs. S1 and S2. See http://www.rsc.org/suppdata/p2/b1/b105489a/
• Authors of publication: Jurečka, Petr; Vojtíšek, Pavel; Novotný, Karel; Rohovec, Jan; Lukeš, Ivan
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 1370
• a: 18.856 ± 0.001 Å
• b: 20.962 ± 0.001 Å
• c: 23.912 ± 0.001 Å
• α: 71.093 ± 0.004°
• β: 75.343 ± 0.004°
• γ: 88.723 ± 0.004°
• Cell volume: 8632.1 ± 0.8 ų
• Cell temperature: 180 ± 1 K
• Ambient diffraction temperature: 180 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1961
• Residual factor for significantly intense reflections: 0.1305
• Weighted residual factors for significantly intense reflections: 0.375
• Weighted residual factors for all reflections included in the refinement: 0.4005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.27
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No