Information card for entry 2208530

Structure parameters

• Formula: C17 H15 F O3
• Calculated formula: C17 H15 F O3
• SMILES: Fc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1
• Title of publication: 3-(3,4-Dimethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
• Authors of publication: Butcher, Ray J.; Yathirajan, H. S.; Anilkumar, H. G.; Sarojini, B. K.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1633 - o1635
• a: 8.7105 ± 0.0013 Å
• b: 10.6712 ± 0.0016 Å
• c: 15.48 ± 0.002 Å
• α: 90.766 ± 0.002°
• β: 100.366 ± 0.002°
• γ: 91.856 ± 0.002°
• Cell volume: 1414.4 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes