Information card for entry 2232677

Structure parameters

• Chemical name: (<i>E</i>)-3-(Furan-2-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
• Formula: C14 H12 O3
• Calculated formula: C14 H12 O3
• SMILES: C(=O)(/C=C/c1ccco1)c1ccc(cc1)OC
• Title of publication: (<i>E</i>)-3-(Furan-2-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
• Authors of publication: Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni; Pandya, Jalpa R.; Lade, Sunil B.; Joshi, Hitendra S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3185
• a: 7.1583 ± 0.0003 Å
• b: 19.1516 ± 0.0008 Å
• c: 8.4293 ± 0.0003 Å
• α: 90°
• β: 94.357 ± 0.004°
• γ: 90°
• Cell volume: 1152.26 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes