Information card for entry 2242563

Structure parameters

• Chemical name: (<i>E</i>)-1-(Anthracen-9-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one
• Formula: C24 H17 F O2
• Calculated formula: C24 H17 F O2
• SMILES: Fc1cc(/C=C/C(=O)c2c3ccccc3cc3ccccc23)ccc1OC
• Title of publication: Molecular structure, DFT studies and UV‒Vis absorption of two new linear fused ring chalcones: (<i>E</i>)-1-(anthracen-9-yl)-3-(2-methoxyphenyl)prop-2-en-1-one and (<i>E</i>)-1-(anthracen-9-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one
• Authors of publication: Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 8
• Pages of publication: 1087 - 1092
• a: 8.6646 ± 0.0005 Å
• b: 9.5752 ± 0.0005 Å
• c: 11.5636 ± 0.0006 Å
• α: 100.593 ± 0.002°
• β: 105.443 ± 0.002°
• γ: 92.422 ± 0.002°
• Cell volume: 904.76 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0991
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes