Information card for entry 2021771

Structure parameters

• Formula: C13 H16 N Na O5
• Calculated formula: C13 H16 N Na O5
• SMILES: C(=O)([O-])c1ccccc1Nc1ccccc1.[Na+].O.O.O
• Title of publication: The Na—O bond in sodium fenamate
• Authors of publication: Krawczyk, Marta S.; Majerz, Irena
• Journal of publication: Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 5
• a: 6.059 ± 0.003 Å
• b: 37.243 ± 0.007 Å
• c: 6.577 ± 0.003 Å
• α: 90 ± 0.03°
• β: 105.12 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 1432.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0689
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1779
• Weighted residual factors for all reflections included in the refinement: 0.1814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes