Information card for entry 2236258

Structure parameters

• Chemical name: (2<i>E</i>)-3-(2-Fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one
• Formula: C15 H10 F2 O
• Calculated formula: C15 H10 F2 O
• SMILES: Fc1ccc(cc1)C(=O)/C=C/c1c(F)cccc1
• Title of publication: (2<i>E</i>)-3-(2-Fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Farhadikoutenaei, Abbas; Narayana, B.; Nayak, Prakash S.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2658
• a: 14.569 ± 0.002 Å
• b: 7.2737 ± 0.001 Å
• c: 11.3933 ± 0.0015 Å
• α: 90°
• β: 108.827 ± 0.003°
• γ: 90°
• Cell volume: 1142.8 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• 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: 0.0604
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes