Information card for entry 2010639

Structure parameters

• Chemical name: Sodium diphenylacetate
• Formula: C14 H11 Na O2
• Calculated formula: C14 H11 Na O2
• SMILES: [Na+].O=C([O-])C(c1ccccc1)c1ccccc1
• Title of publication: Sodium diphenylacetate, an infinite columnar structure
• Authors of publication: Paixão, J. A.; Nascimento, F. V.; Matos Beja, A.; Ramos Silva, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 168 - 170
• a: 18.944 ± 0.003 Å
• b: 18.944 ± 0.003 Å
• c: 6.3326 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2272.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes