Information card for entry 2241113

Structure parameters

• Chemical name: (<i>E</i>)-4,6-Dimethoxy-2-(4-methoxystyryl)-3-methylbenzaldehyde
• Formula: C19 H20 O4
• Calculated formula: C19 H20 O4
• SMILES: c1(c(c(cc(c1C=O)OC)OC)C)/C=C/c1ccc(cc1)OC
• Title of publication: Crystal structure of (<i>E</i>)-4,6-dimethoxy-2-(4-methoxystyryl)-3-methylbenzaldehyde
• Authors of publication: Ahn, Seunghyun; Lim, Yoongho; Koh, Dongsoo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: o771
• a: 11.3632 ± 0.0009 Å
• b: 8.7159 ± 0.0007 Å
• c: 16.2382 ± 0.0013 Å
• α: 90°
• β: 101.927 ± 0.002°
• γ: 90°
• Cell volume: 1573.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1163
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.2223
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes