Information card for entry 2232053

Structure parameters

• Common name: (2<i>E</i>)-1-(pyridin-2-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
• Chemical name: (2<i>E</i>)-1-(Pyridin-2-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
• Formula: C17 H17 N O4
• Calculated formula: C17 H17 N O4
• SMILES: O=C(c1ncccc1)/C=C/c1c(OC)cc(OC)cc1OC
• Title of publication: (2<i>E</i>)-1-(Pyridin-2-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Chantrapromma, Suchada; Suwunwong, Thitipone
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2789 - o2790
• a: 31.563 ± 0.002 Å
• b: 44.508 ± 0.003 Å
• c: 3.9504 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5549.5 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes