Information card for entry 4102315

Structure parameters

• Formula: C49 H44 N6 O15
• Calculated formula: C49 H44 N6 O15
• 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)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: 11.276 ± 0.002 Å
• b: 12.301 ± 0.003 Å
• c: 16.564 ± 0.003 Å
• α: 90.388 ± 0.006°
• β: 94.562 ± 0.005°
• γ: 105.3 ± 0.005°
• Cell volume: 2208.2 ± 0.8 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: 0.1337
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.1907
• Weighted residual factors for all reflections included in the refinement: 0.2159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No