Information card for entry 2240400

Structure parameters

• Chemical name: (<i>E</i>)-3-(Furan-2-yl)-1-phenylprop-2-en-1-one
• Formula: C13 H10 O2
• Calculated formula: C13 H10 O2
• SMILES: o1c(/C=C/C(=O)c2ccccc2)ccc1
• Title of publication: Crystal structure of the chalcone (<i>E</i>)-3-(furan-2-yl)-1-phenylprop-2-en-1-one
• Authors of publication: Vázquez-Vuelvas, Oscar F.; Enríquez-Figueroa, René A.; García-Ortega, Héctor; Flores-Alamo, Marcos; Pineda-Contreras, Armando
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: 161 - 164
• a: 9.5296 ± 0.0007 Å
• b: 10.1383 ± 0.0007 Å
• c: 11.1595 ± 0.0007 Å
• α: 90°
• β: 103.922 ± 0.006°
• γ: 90°
• Cell volume: 1046.49 ± 0.13 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 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: 0.0716
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes