Information card for entry 2205766

Structure parameters

• Chemical name: 1,3-di(2-furyl)-2-propen-1-one
• Formula: C11 H8 O3
• Calculated formula: C11 H8 O3
• SMILES: c1ccc(C(=O)/C=C/c2ccco2)o1
• Title of publication: (<i>E</i>)-1,3-Di(2-furyl)-2-propen-1-one
• Authors of publication: Ocak Ískeleli, Nazan; Işık, Şamil; Özdemir, Zuhal; Bilgin, Altan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1356 - o1358
• a: 15.142 ± 0.001 Å
• b: 11.6395 ± 0.0008 Å
• c: 11.2429 ± 0.0014 Å
• α: 90°
• β: 111.363 ± 0.007°
• γ: 90°
• Cell volume: 1845.4 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes