Information card for entry 2224154

Structure parameters

• Chemical name: 1-(4-Hydroxy-3,5-dimethoxyphenyl)ethanone
• Formula: C10 H12 O4
• Calculated formula: C10 H12 O4
• SMILES: O(c1cc(cc(OC)c1O)C(=O)C)C
• Title of publication: 1-(4-Hydroxy-3,5-dimethoxyphenyl)ethanone
• Authors of publication: He, Jun; Yang, Jin-cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3030
• a: 14.977 ± 0.002 Å
• b: 14.977 ± 0.002 Å
• c: 17.142 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3845.1 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes