Information card for entry 4102321

Structure parameters

• Formula: C154 H175.5 Cl2 Cs2 N8.5 O18
• Calculated formula: C154 H165.5 Cl2 Cs2 N8.5 O15
• Title of publication: A Calix[4]arene Strapped Calix[4]pyrrole: An Ion-Pair Receptor Displaying Three Different Cesium Cation Recognition Modes
• Authors of publication: Sung Kuk Kim; Jonathan L. Sessler; Dustin E. Gross; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch; Laetitia H. Delmau; Benjamin P. Hay
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 5827 - 5836
• a: 18.449 ± 0.002 Å
• b: 21.316 ± 0.003 Å
• c: 22.059 ± 0.003 Å
• α: 61.593 ± 0.002°
• β: 78.297 ± 0.003°
• γ: 74.265 ± 0.003°
• Cell volume: 7316.4 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1865
• Residual factor for significantly intense reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.1873
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.363
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No