Information card for entry 2207989

Structure parameters

• Chemical name: Potassium 2-benzoylbenzoate dihydrate
• Formula: C14 H13 K O5
• Calculated formula: C14 H13 K O5
• SMILES: [K+].[O-]C(=O)c1c(cccc1)C(=O)c1ccccc1.O.O
• Title of publication: Potassium 2-benzoylbenzoate dihydrate
• Authors of publication: Wang, Dan-Dan; Zhu, Hong-Jun; Shan, Ning; Song, Guang-Liang; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o427 - o428
• a: 10.391 ± 0.004 Å
• b: 7.771 ± 0.003 Å
• c: 33.314 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2690.1 ± 1.8 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1193
• Residual factor for significantly intense reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.2351
• Weighted residual factors for all reflections included in the refinement: 0.2427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.368
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No