Information card for entry 2229616

Structure parameters

• Chemical name: (1<i>E</i>,4<i>E</i>)-1,5-Bis(2,6-difluorophenyl)penta-1,4-dien-3-on
• Formula: C17 H10 F4 O
• Calculated formula: C17 H10 F4 O
• SMILES: Fc1c(/C=C/C(=O)/C=C/c2c(F)cccc2F)c(F)ccc1
• Title of publication: (1<i>E</i>,4<i>E</i>)-1,5-Bis(2,6-difluorophenyl)penta-1,4-dien-3-one
• Authors of publication: Huang, Jun-Da; Tang, Qin-Qin; Chen, Xiao-Yan; Ye, Yun; Wang, Yi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o758
• a: 7.7522 ± 0.0011 Å
• b: 15.413 ± 0.002 Å
• c: 12.2848 ± 0.0017 Å
• α: 90°
• β: 106.194 ± 0.002°
• γ: 90°
• Cell volume: 1409.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0915
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes