Information card for entry 4102313

Structure parameters

• Formula: C33 H30 N4 O11
• Calculated formula: C33 H30 N4 O11
• SMILES: O=N(=O)c1c(OC)c(ccc1)C(=O)Nc1c(OC)c(ccc1)C(=O)Nc1c(OC)c(ccc1)C(=O)Nc1c(OC)c(ccc1)C(=O)OC
• Title of publication: Synthesis, Structural Investigations, Hydrogen-Deuterium Exchange Studies, and Molecular Modeling of Conformationally Stablilized Aromatic Oligoamides
• Authors of publication: Yan Yan; Bo Qin; Changliang Ren; Xiuying Chen; Yeow Kwan Yip; Ruijuan Ye; Dawei Zhang; Haibin Su; Huaqiang Zeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 5869 - 5879
• a: 8.0316 ± 0.001 Å
• b: 13.8306 ± 0.0017 Å
• c: 15.0009 ± 0.0018 Å
• α: 109.279 ± 0.002°
• β: 93.852 ± 0.002°
• γ: 106.744 ± 0.002°
• Cell volume: 1481.7 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.103
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No