Information card for entry 2211940

Structure parameters

• Chemical name: 1-(4-Fluorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
• Formula: C18 H17 F O4
• Calculated formula: C18 H17 F O4
• SMILES: Fc1ccc(cc1)C(=O)/C=C/c1c(OC)cc(OC)c(OC)c1
• Title of publication: 1-(4-Fluorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Jeannie Bee-Jan Teh; P. S. Patil; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o54 - o56
• a: 8.5325 ± 0.0002 Å
• b: 8.8404 ± 0.0002 Å
• c: 10.1468 ± 0.0002 Å
• α: 87.048 ± 0.001°
• β: 73.313 ± 0.001°
• γ: 85.919 ± 0.001°
• Cell volume: 730.9 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 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: 0.0443
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes