Information card for entry 2230944

Structure parameters

• Common name: 3-Hydroxy-1,2-dimethoxyxanthone
• Chemical name: 3-Hydroxy-1,2-dimethoxy-9<i>H</i>-xanthen-9-one
• Formula: C15 H12 O5
• Calculated formula: C15 H12 O5
• SMILES: O1c2cc(O)c(OC)c(OC)c2C(=O)c2ccccc12
• Title of publication: 3-Hydroxy-1,2-dimethoxyxanthone
• Authors of publication: Xiong, Hui-Ping; Wu, Zhi-Jun; Chen, Fa-Tang; Chen, Dong-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1667
• a: 7.338 ± 0.002 Å
• b: 7.824 ± 0.003 Å
• c: 11.964 ± 0.004 Å
• α: 94.634 ± 0.004°
• β: 93.561 ± 0.004°
• γ: 115.027 ± 0.004°
• Cell volume: 616.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Cell measurement pressure: 1 kPa
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.1895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes