Information card for entry 2205619

Structure parameters

• Chemical name: 3-[(2-Hydroxyphenyl)amino]-1-phenylbut-3-en-1-one ethanol solvate
• Formula: C18 H21 N O3
• Calculated formula: C18 H21 N O3
• SMILES: O=C(C=C(Nc1c(O)cccc1)C)c1ccccc1.OCC
• Title of publication: 3-[(2-Hydroxyphenyl)amino]-1-phenylbut-3-en-1-one ethanol solvate
• Authors of publication: Yao-Cheng Shi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o1130 - o1132
• a: 7.663 ± 0.004 Å
• b: 12.119 ± 0.007 Å
• c: 18.303 ± 0.009 Å
• α: 90°
• β: 93.217 ± 0.014°
• γ: 90°
• Cell volume: 1697.1 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes