Information card for entry 2227525

Structure parameters

• Chemical name: (<i>E</i>)-1-(2-Furyl)-3-(2,4,6-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)cc1OC
• Title of publication: (<i>E</i>)-1-(2-Furyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Suwunwong, Thitipone; Chantrapromma, Suchada; Karalai, Chatchanok
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2559 - o2560
• a: 38.5688 ± 0.0005 Å
• b: 3.93493 ± 0.00005 Å
• c: 18.2638 ± 0.0003 Å
• α: 90°
• β: 103.901 ± 0.001°
• γ: 90°
• Cell volume: 2690.64 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes