Information card for entry 2237203

Structure parameters

• Chemical name: 1-(2-Hydroxy-4,5-dimethoxyphenyl)ethanone
• Formula: C10 H12 O4
• Calculated formula: C10 H12 O4
• SMILES: c1(c(cc(c(c1)OC)OC)O)C(=O)C
• Title of publication: 1-(2-Hydroxy-4,5-dimethoxyphenyl)ethanone
• Authors of publication: Scalzullo, Stefania M.; Khorasani, Sanaz; Michael, Joseph P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o139
• a: 19.174 ± 0.0012 Å
• b: 5.5026 ± 0.0003 Å
• c: 8.9956 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 949.1 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes