Information card for entry 2238697

Structure parameters

• Chemical name: (<i>E</i>)-3-(4-Fluorophenyl)-1-phenylprop-2-en-1-one
• Formula: C15 H11 F O
• Calculated formula: C15 H11 F O
• SMILES: Fc1ccc(cc1)/C=C/C(=O)c1ccccc1
• Title of publication: Second monoclinic form of (<i>E</i>)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one
• Authors of publication: Arias-Ruiz, Saira N.; Romero, Nancy; Lobato-García, Carlos E.; Gómez-Rivera, Abraham; Mendoza, Angel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1694 - o1695
• a: 8.6925 ± 0.0004 Å
• b: 5.9266 ± 0.0002 Å
• c: 22.6456 ± 0.0009 Å
• α: 90°
• β: 95.423 ± 0.004°
• γ: 90°
• Cell volume: 1161.41 ± 0.08 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No