Information card for entry 3500107

Structure parameters

• Common name: 1-(3,4,5-trimethoxyphenyl)ethan-1-one
• Chemical name: 1-(3,4,5-trimethoxyphenyl)ethan-1-one
• Formula: C11 H14 O4
• Calculated formula: C11 H14 O4
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2020
• a: 9.711 ± 0.0003 Å
• b: 7.2904 ± 0.0002 Å
• c: 14.8127 ± 0.0005 Å
• α: 90°
• β: 94.2 ± 0.002°
• γ: 90°
• Cell volume: 1045.88 ± 0.06 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 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: 0.0436
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes