Information card for entry 8106528

Structure parameters

• Formula: C16 H15 N O5
• Calculated formula: C16 H15 N O5
• SMILES: COc1ccc(cc1)N(C(=O)C(=O)O)c1ccc(cc1)OC
• Title of publication: Crystal structure of 2-(bis(4-methoxyphenyl)amino)-2-oxoacetic acid, C16H15NO5
• Authors of publication: El-Hiti, Gamal A.; Smith, Keith; Alamri, Mesfer; Morris, Ceri A.; Kariuki, Benson M.; Kille, Peter
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 2
• Pages of publication: 333 - 335
• a: 6.7689 ± 0.0005 Å
• b: 45.219 ± 0.003 Å
• c: 10.1102 ± 0.0006 Å
• α: 90°
• β: 101.36 ± 0.007°
• γ: 90°
• Cell volume: 3033.9 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1151
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No