Information card for entry 2233524

Structure parameters

• Chemical name: (<i>E</i>)-1-(Furan-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
• Formula: C16 H16 O5
• Calculated formula: C16 H16 O5
• SMILES: O=C(c1occc1)/C=C/c1c(OC)cc(OC)c(OC)c1
• Title of publication: (<i>E</i>)-1-(Furan-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Suwunwong, Thitipone; Chantrapromma, Suchada; Karalai, Chatchanok; Wisitsak, Pitikan; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o317 - o318
• a: 8.338 ± 0.002 Å
• b: 8.61 ± 0.002 Å
• c: 18.923 ± 0.005 Å
• α: 90°
• β: 94.467 ± 0.004°
• γ: 90°
• Cell volume: 1354.4 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1214
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes