Information card for entry 7204192

Structure parameters

• Formula: C436 H572 O132 P16
• Calculated formula: C54.5 H71.5 O16.5 P2
• 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: 39.454 ± 0.01 Å
• b: 17.486 ± 0.003 Å
• c: 21.54 ± 0.003 Å
• α: 90°
• β: 123.03 ± 0.02°
• γ: 90°
• Cell volume: 12459 ± 5 ų
• Cell temperature: 180 ± 1 K
• Ambient diffraction temperature: 180 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1946
• Residual factor for significantly intense reflections: 0.1175
• Weighted residual factors for significantly intense reflections: 0.3381
• Weighted residual factors for all reflections included in the refinement: 0.3693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No