Information card for entry 2016291

Structure parameters

• Chemical name: (2E)-3-(2-fluoro-4-phenoxyphenyl)-1-phenylprop-2-en-1-one
• Formula: C21 H15 F O2
• Calculated formula: C21 H15 F O2
• SMILES: Fc1c(Oc2ccccc2)cc(/C=C/C(=O)c2ccccc2)cc1
• Title of publication: A series of substituted (2<i>E</i>)-3-(2-fluoro-4-phenoxyphenyl)-1-phenylprop-2-en-1-ones
• Authors of publication: Chopra, Deepak; Mohan, T. P.; Vishalakshi, B.; Guru Row, T. N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o704 - o710
• a: 7.2869 ± 0.0017 Å
• b: 5.9407 ± 0.0014 Å
• c: 36.805 ± 0.008 Å
• α: 90°
• β: 93.724 ± 0.004°
• γ: 90°
• Cell volume: 1589.9 ± 0.6 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.055
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes