Information card for entry 4102675

Structure parameters

• Formula: C60 H83 K N6 O15
• Calculated formula: C60 H79 K N6 O15
• 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: 11.6218 ± 0.0011 Å
• b: 11.9587 ± 0.0011 Å
• c: 45.248 ± 0.004 Å
• α: 90°
• β: 95.406 ± 0.002°
• γ: 90°
• Cell volume: 6260.7 ± 1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.1941
• Residual factor for significantly intense reflections: 0.131
• Weighted residual factors for significantly intense reflections: 0.2694
• Weighted residual factors for all reflections included in the refinement: 0.304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No