Information card for entry 2220179

Structure parameters

• Chemical name: 1-(2-Hydroxy-3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
• Formula: C17 H18 O5
• Calculated formula: C17 H18 O5
• SMILES: c1(c(c(c(cc1)OC)OC)O)C(=O)Cc1ccc(cc1)OC
• Title of publication: 1-(2-Hydroxy-3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
• Authors of publication: Xiao, Zhu-Ping; Xiao, He-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2324
• a: 14.431 ± 0.003 Å
• b: 14.073 ± 0.003 Å
• c: 7.461 ± 0.0015 Å
• α: 90°
• β: 92.86 ± 0.03°
• γ: 90°
• Cell volume: 1513.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1243
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes