Information card for entry 4120582

Structure parameters

• Formula: C30 H38 N6 O9
• Calculated formula: C30 H38 N6 O9
• SMILES: c1c(c(cc(c1N(=O)=O)Nc1c(cc(cc1)NC(=O)OC(C)(C)C)C)Nc1c(cc(cc1)NC(=O)OC(C)(C)C)C)N(=O)=O.O
• 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: 7.442 ± 0.001 Å
• b: 12.755 ± 0.002 Å
• c: 18.706 ± 0.001 Å
• α: 74.31 ± 0.009°
• β: 82.691 ± 0.006°
• γ: 76.12 ± 0.011°
• Cell volume: 1655.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1464
• 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: No
• Has Fobs: No