Information card for entry 2215300

Structure parameters

• Chemical name: (E)-3-(4-Fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
• Formula: C16 H13 F O
• Calculated formula: C16 H13 F O
• SMILES: Fc1ccc(/C=C/C(=O)c2ccc(cc2)C)cc1
• Title of publication: (<i>E</i>)-3-(4-Fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
• Authors of publication: Butcher, Ray J.; Jasinski, Jerry P.; Yathirajan, H. S.; Narayana, B.; Veena, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3833 - o3833
• a: 11.0082 ± 0.0007 Å
• b: 10.7499 ± 0.0006 Å
• c: 11.5415 ± 0.0007 Å
• α: 90°
• β: 117.122 ± 0.009°
• γ: 90°
• Cell volume: 1215.6 ± 0.16 ų
• Cell temperature: 203 K
• Ambient diffraction temperature: 203 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: 0.1353
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes