Information card for entry 2004984

Structure parameters

• Common name: Xanthene-9-carboxylic acid
• Formula: C14 H10 O3
• Calculated formula: C14 H10 O3
• SMILES: OC(=O)C1c2ccccc2Oc2c1cccc2
• Title of publication: Xanthene-9-carboxylic Acid
• Authors of publication: Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1486 - 1488
• a: 16.139 ± 0.001 Å
• b: 5.117 ± 0.001 Å
• c: 26.887 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2220.4 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.046
• Goodness-of-fit parameter for significantly intense reflections: 1.32
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No