Information card for entry 4022647

Structure parameters

• Formula: C25 H25 N3 O7
• Calculated formula: C25 H25 N3 O7
• SMILES: O(c1c(NC(=O)c2cc(cc(N(=O)=O)c2OC)C)cc(cc1C(=O)Nc1ccccc1OC)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: 14.7672 ± 0.0017 Å
• b: 7.5714 ± 0.0009 Å
• c: 21.772 ± 0.003 Å
• α: 90°
• β: 103.97 ± 0.002°
• γ: 90°
• Cell volume: 2362.3 ± 0.5 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: 0.0981
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.79
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No