Information card for entry 4509546

Structure parameters

• Formula: C32 H37 Cs O17 P4
• Calculated formula: C32 H35 Cs O17 P4
• Title of publication: Organization of Lower RimO-Alkylatedp-Phosphonic Acid Calix[4]arenes
• Authors of publication: Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Su, Dian; Rohrs, Henry; Gross, Michael L.; Raston, Colin L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 3575
• a: 10.335 ± 0.002 Å
• b: 20.68 ± 0.004 Å
• c: 34.728 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7422 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1324
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No