Information card for entry 2214396

Structure parameters

• Chemical name: 1,5-Bis(4-fluorophenyl)penta-1,4-dien-3-one
• Formula: C17 H12 F2 O
• Calculated formula: C17.0235 H12 F2.00293 O1.00147
• SMILES: O=C(/C=C/c1ccc(cc1)F)/C=C/c1ccc(cc1)F
• Title of publication: 1,5-Bis(4-fluorophenyl)penta-1,4-dien-3-one
• Authors of publication: Butcher, Ray J.; Jasinski, Jerry P.; Sarojini, B.K.; Yathirajan, H. S.; Bindya, S; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3213 - o3214
• a: 90.019 ± 0.014 Å
• b: 5.8228 ± 0.0009 Å
• c: 7.5301 ± 0.0012 Å
• α: 90°
• β: 90.868 ± 0.004°
• γ: 90°
• Cell volume: 3946.5 ± 1.1 ų
• Cell temperature: 173 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes