Information card for entry 4120586

Structure parameters

• Formula: C20 H16 N6 O9
• Calculated formula: C20 H16 N6 O9
• Title of publication: Aromatic Oligoamide β-Sheet Foldamers.
• Authors of publication: Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 5
• Pages of publication: 2168 - 2174
• a: 7.434 ± 0.004 Å
• b: 21.865 ± 0.006 Å
• c: 12.827 ± 0.003 Å
• α: 90°
• β: 90.51 ± 0.03°
• γ: 90°
• Cell volume: 2084.9 ± 1.4 ų
• Cell temperature: 278 ± 2 K
• Ambient diffraction temperature: 278 ± 2 K
• Number of distinct elements: 4
• 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: 0.1004
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No