Information card for entry 2233188

Structure parameters

• Chemical name: 1-(2-Hydroxy-3,5-dimethoxyphenyl)ethanone
• Formula: C10 H12 O4
• Calculated formula: C10 H12 O4
• SMILES: O(C)c1cc(OC)c(O)c(c1)C(=O)C
• Title of publication: 1-(2-Hydroxy-3,5-dimethoxyphenyl)ethanone
• Authors of publication: Li, Wenming; Li, Xiaobo; Duan, Yuqing; Deng, Zhirong; Wang, Runling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o116
• a: 7.733 ± 0.004 Å
• b: 8.059 ± 0.004 Å
• c: 14.851 ± 0.007 Å
• α: 90°
• β: 91.416 ± 0.01°
• γ: 90°
• Cell volume: 925.2 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes