Information card for entry 2219094

Structure parameters

• Chemical name: (E)-3-(3,4-Dimethoxyphenyl)-1-(2-furyl)prop-2-en-1-one
• Formula: C15 H14 O4
• Calculated formula: C15 H14 O4
• SMILES: o1cccc1C(=O)/C=C/c1cc(OC)c(OC)cc1
• Title of publication: (<i>E</i>)-3-(3,4-Dimethoxyphenyl)-1-(2-furyl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Patil, P. S.; Jebas, Samuel Robinson; Dharmaprakash, S. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1434 - o1435
• a: 21.5582 ± 0.0005 Å
• b: 5.6105 ± 0.0001 Å
• c: 10.4622 ± 0.0003 Å
• α: 90°
• β: 101.51 ± 0.002°
• γ: 90°
• Cell volume: 1239.98 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes