Information card for entry 2236293

Structure parameters

• Chemical name: 1-(2-Fluorophenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
• Formula: C18 H17 F O4
• Calculated formula: C18 H17 F O4
• SMILES: Fc1ccccc1C(=O)/C=C/c1c(OC)cc(OC)cc1OC
• Title of publication: 1-(2-Fluorophenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Prabuswamy, M.; Madan Kumar, S.; Bhuvaneshwar, D.; Murthy, Ch. S. S. S.; Lokanath, N. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3190
• a: 7.0927 ± 0.0003 Å
• b: 25.9711 ± 0.0011 Å
• c: 8.7487 ± 0.0004 Å
• α: 90°
• β: 91.584 ± 0.004°
• γ: 90°
• Cell volume: 1610.94 ± 0.12 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0723
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes