Information card for entry 2234125

Structure parameters

• Chemical name: (2<i>E</i>)-1-(2,6-Dichloro-3-fluorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
• Formula: C16 H11 Cl2 F O2
• Calculated formula: C16 H11 Cl2 F O2
• Title of publication: (2<i>E</i>)-1-(2,6-Dichloro-3-fluorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
• Authors of publication: Praveen, A. S.; Jasinski, Jerry P.; Golen, James A.; Yathirajan, H. S.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1163
• a: 11.9035 ± 0.0006 Å
• b: 10.4472 ± 0.0005 Å
• c: 23.7435 ± 0.0012 Å
• α: 90°
• β: 92.296 ± 0.004°
• γ: 90°
• Cell volume: 2950.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0865
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes