Information card for entry 1542755

Structure parameters

• Chemical name: 2,5-Dimethoxy-3,4,6-trimethylbenzaldehyde
• Formula: C12 H16 O3
• Calculated formula: C12 H16 O3
• Title of publication: 2,5-Dimethoxy-3,4,6-trimethylbenzaldehyde
• Authors of publication: Wickramasinhage, Ravindra; McAdam, C. John; Simpson, Jim
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 2
• Pages of publication: x160307
• a: 4.5856 ± 0.0003 Å
• b: 14.2281 ± 0.0009 Å
• c: 8.3312 ± 0.0004 Å
• α: 90°
• β: 98.515 ± 0.005°
• γ: 90°
• Cell volume: 537.57 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.072
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1815
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes