Information card for entry 2242655

Structure parameters

• Chemical name: (<i>E</i>)-1-(Anthracen-9-yl)-3-(3<i>H</i>-indol-2-yl)prop-2-en-1-one
• Formula: C25 H17 N O
• Calculated formula: C25 H17 N O
• SMILES: [nH]1c(/C=C/C(=O)c2c3ccccc3cc3ccccc23)cc2ccccc12
• Title of publication: Crystal structures, DFT studies and UV‒visible absorption spectra of two anthracenyl chalcone derivatives
• 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: 10
• Pages of publication: 1491 - 1496
• a: 8.542 ± 0.002 Å
• b: 9.5 ± 0.003 Å
• c: 11.521 ± 0.003 Å
• α: 100.315 ± 0.006°
• β: 98.456 ± 0.006°
• γ: 103.336 ± 0.006°
• Cell volume: 877.5 ± 0.4 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: 0.1505
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes