Information card for entry 2238121

Structure parameters

• Chemical name: 2,4-Dimethoxy-6-[(<i>E</i>)-2-(4-methoxyphenyl)ethenyl]benzaldehyde
• Formula: C18 H18 O4
• Calculated formula: C18 H18 O4
• SMILES: COc1ccc(cc1)/C=C/c1cc(OC)cc(c1C=O)OC
• Title of publication: 2,4-Dimethoxy-6-[(<i>E</i>)-2-(4-methoxyphenyl)ethenyl]benzaldehyde
• Authors of publication: Ge, Xiao-Lin; Guan, Qiu-Xiang; Deng, Sheng-Song; Ruan, Ban-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o629
• a: 9.292 ± 0.005 Å
• b: 9.448 ± 0.005 Å
• c: 17.547 ± 0.005 Å
• α: 84.097 ± 0.005°
• β: 84.04 ± 0.005°
• γ: 83.315 ± 0.005°
• Cell volume: 1515.3 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1683
• Goodness-of-fit parameter for all reflections included in the refinement: 0.787
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes