Information card for entry 4102676

Structure parameters

• Formula: C69.5 H99 B0 Cs N6 O14.5
• Calculated formula: C69.5 H96 Cs N6 O14.5
• Title of publication: Persistently Folded Circular Aromatic Amide Pentamers Containing Modularly Tunable Cation-Binding Cavities with High Ion Selectivity
• Authors of publication: Bo Qin; Changliang Ren; Ruijuan Ye; Chang Sun; Khalid Chiad; Xiuying Chen; Zhao Li; Feng Xue; Haibin Su; Gregory A. Chass; Huaqiang Zeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 9564 - 9566
• a: 18.379 ± 0.003 Å
• b: 18.199 ± 0.003 Å
• c: 22.994 ± 0.004 Å
• α: 90°
• β: 112.896 ± 0.003°
• γ: 90°
• Cell volume: 7085 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1701
• Residual factor for significantly intense reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.2374
• Weighted residual factors for all reflections included in the refinement: 0.2854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No