Information card for entry 4022648

Structure parameters

• Formula: C15 H14 N2 O5
• Calculated formula: C15 H14 N2 O5
• SMILES: O(c1ccccc1NC(=O)c1cc(cc(N(=O)=O)c1O)C)C
• Title of publication: Hydrogen Bonding-Induced Aromatic Oligoamide Foldamers as Spherand Analogues to Accelerate the Hydrolysis of Nitro-Substituted Anisole in Aqueous Media
• Authors of publication: Hui-Ping Yi; Jiang Wu; Kui-Ling Ding; Xi-Kui Jiang; Zhan-Ting Li
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 870 - 877
• a: 6.922 ± 0.0007 Å
• b: 24.095 ± 0.002 Å
• c: 8.9581 ± 0.0008 Å
• α: 90°
• β: 110.844 ± 0.002°
• γ: 90°
• Cell volume: 1396.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0704
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No