Information card for entry 2242915

Structure parameters

• Chemical name: (<i>E</i>)-3-(Anthracen-9-yl)-1-(4-nitrophenyl)prop-2-en-1-one
• Formula: C23 H15 N O3
• Calculated formula: C23 H15 N O3
• SMILES: O=C(/C=C/c1c2ccccc2cc2ccccc12)c1ccc(N(=O)=O)cc1
• Title of publication: Crystal structure and optical properties of fused-ring chalcone (<i>E</i>)-3-(anthracen-9-yl)-1-(4-nitrophenyl)prop-2-en-1-one
• Authors of publication: Zaini, Muhamad Fikri; Razak, Ibrahim Abdul; Khairul, Wan Mohd; Arshad, Suhana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 5
• Pages of publication: 685 - 689
• a: 10.8204 ± 0.001 Å
• b: 3.9364 ± 0.0003 Å
• c: 40.42 ± 0.003 Å
• α: 90°
• β: 97.651 ± 0.003°
• γ: 90°
• Cell volume: 1706.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1154
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes