Information card for entry 1545496

Structure parameters

• Chemical name: (<i>Z</i>)-2-(4-Methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione
• Formula: C23 H19 N O3
• Calculated formula: C23 H19 N O3
• SMILES: O=C(/C=C(\Nc1ccc(OC)cc1)C(=O)c1ccccc1)c1ccccc1
• Title of publication: (<i>Z</i>)-2-(4-Methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione
• Authors of publication: Ravi, A. J.; Vinduvahini, M.; Vinayaka, A. C.; Sadashiva, M. P.; Devarajegowda, H. C.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 2
• Pages of publication: x170043
• a: 10.1567 ± 0.0005 Å
• b: 8.5396 ± 0.0004 Å
• c: 21.8019 ± 0.001 Å
• α: 90°
• β: 99.329 ± 0.002°
• γ: 90°
• Cell volume: 1865.96 ± 0.15 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: 0.0529
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes