Information card for entry 4102312

Structure parameters

• Formula: C35 H43 N3 O12
• Calculated formula: C35 H43 N3 O12
• SMILES: O(c1cc(NC(=O)c2cc(OC)cc(N(=O)=O)c2OC)c(OC)c(c1)C(=O)Nc1cc(OC)cc(c1OC)C(=O)OC)CCCCCCCC
• 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: 6.8316 ± 0.0008 Å
• b: 15.8889 ± 0.0018 Å
• c: 16.43 ± 0.0018 Å
• α: 83.062 ± 0.002°
• β: 78.939 ± 0.003°
• γ: 87.588 ± 0.002°
• Cell volume: 1737.1 ± 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: 0.084
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No