Information card for entry 2224350

Structure parameters

• Chemical name: 3-(2-Fluorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
• Formula: C16 H13 F O2
• Calculated formula: C16 H13 F O2
• SMILES: c1(C(=O)/C=C/c2ccccc2F)ccc(OC)cc1
• Title of publication: 3-(2-Fluorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
• Authors of publication: Guo, Huan-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3013
• a: 7.4511 ± 0.0006 Å
• b: 11.0541 ± 0.0008 Å
• c: 31.031 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2555.9 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes