Information card for entry 2002940

Structure parameters

• Chemical name: Potassium 3-benzoylthiophene-2-carboxylate
• Formula: C12 H7 K O3 S
• Calculated formula: C12 H7 K O3 S
• Title of publication: Thermal vibrations in potassium 3-benzoyl-2-thiophenecarboxylate
• Authors of publication: Craven, B. M.; Ballas, F. L.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 375 - 379
• a: 10.76 ± 0.001 Å
• b: 7.74 ± 0.001 Å
• c: 27.145 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2260.7 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.034
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.036
• Goodness-of-fit parameter for all reflections: 2.486
• Goodness-of-fit parameter for significantly intense reflections: 2.561
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No