Information card for entry 2223768

Structure parameters

• Chemical name: 1-(2-Hydroxy-4,5-dimethoxyphenyl)propan-1-one
• Formula: C11 H14 O4
• Calculated formula: C11 H14 O4
• SMILES: Oc1c(cc(OC)c(OC)c1)C(=O)CC
• Title of publication: 1-(2-Hydroxy-4,5-dimethoxyphenyl)propan-1-one
• Authors of publication: Cen, Changchun; Chen, Guangying; Han, Changri; Song, Xiaoping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2815
• a: 7.1933 ± 0.0007 Å
• b: 9.4874 ± 0.0012 Å
• c: 17.198 ± 0.002 Å
• α: 90°
• β: 113.164 ± 0.005°
• γ: 90°
• Cell volume: 1079.1 ± 0.2 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: 0.1235
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.2728
• Weighted residual factors for all reflections included in the refinement: 0.2947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes