Information card for entry 2242562

Structure parameters

• Common name: (<i>E</i>)-1-(Anthracen-9-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
• Formula: C24 H18 O2
• Calculated formula: C24 H18 O2
• SMILES: O=C(c1c2ccccc2cc2ccccc12)/C=C/c1ccccc1OC
• 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: 9.0554 ± 0.0008 Å
• b: 17.426 ± 0.0015 Å
• c: 12.9217 ± 0.0009 Å
• α: 90°
• β: 119.916 ± 0.005°
• γ: 90°
• Cell volume: 1767.4 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes