Information card for entry 2219251

Structure parameters

• Chemical name: Disodium 4,4'-oxydibenzoate
• Formula: C14 H8 Na2 O5
• Calculated formula: C14 H8 Na2 O5
• SMILES: C(=O)(c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-])[O-].[Na+].[Na+]
• Title of publication: Disodium 4,4'-oxydibenzoate
• Authors of publication: Yang, Yuan; Li, Qi; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1119
• a: 29.1091 ± 0.0004 Å
• b: 5.7801 ± 0.0001 Å
• c: 7.6429 ± 0.0001 Å
• α: 90°
• β: 92.442 ± 0.0001°
• γ: 90°
• Cell volume: 1284.78 ± 0.03 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.266
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes