Information card for entry 2237963

Structure parameters

• Chemical name: (<i>E</i>)-3-(3,4-Difluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
• Formula: C17 H14 F2 O3
• Calculated formula: C17 H14 F2 O3
• Title of publication: (<i>E</i>)-3-(3,4-Difluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Zhu, He-Ping; Yu, Peng-Tian; Wang, Zhe; Yang, Sheng-Li; Liu, Zhi-Guo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o960
• a: 8.7444 ± 0.0009 Å
• b: 8.4832 ± 0.0009 Å
• c: 19.829 ± 0.002 Å
• α: 90°
• β: 94.053 ± 0.002°
• γ: 90°
• Cell volume: 1467.2 ± 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: 0.0602
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes