Information card for entry 2232424

Structure parameters

• Chemical name: (<i>E</i>)-1-(4-Benzhydrylpiperazin-1-yl)-3-(3,4-diethoxyphenyl)prop-2-en-1-one ethanol monosolvate
• Formula: C32 H40 N2 O4
• Calculated formula: C32 H40 N2 O4
• SMILES: N1(C(=O)/C=C/c2cc(OCC)c(OCC)cc2)CCN(CC1)C(c1ccccc1)c1ccccc1.OCC
• Title of publication: (<i>E</i>)-1-(4-Benzhydrylpiperazin-1-yl)-3-(3,4-diethoxyphenyl)prop-2-en-1-one ethanol monosolvate
• Authors of publication: Zhong, Yan; Wu, Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2992
• a: 7.959 ± 0.0016 Å
• b: 12.039 ± 0.002 Å
• c: 16.298 ± 0.003 Å
• α: 104.27 ± 0.03°
• β: 100.09 ± 0.03°
• γ: 100.02 ± 0.03°
• Cell volume: 1450.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1049
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes