Information card for entry 2233416

Structure parameters

• Chemical name: (<i>E</i>)-1-{4-[Bis(4-methoxyphenyl)methyl]piperazin-1-yl}-3-(3,4- diethoxyphenyl)prop-2-en-1-one ethanol disolvate
• Formula: C36 H50 N2 O7
• Calculated formula: C36 H50 N2 O7
• SMILES: O(c1cc(ccc1OCC)/C=C/C(=O)N1CCN(CC1)C(c1ccc(OC)cc1)c1ccc(OC)cc1)CC.OCC.OCC
• Title of publication: (<i>E</i>)-1-{4-[Bis(4-methoxyphenyl)methyl]piperazin-1-yl}-3-(3,4-diethoxyphenyl)prop-2-en-1-one ethanol disolvate
• Authors of publication: Zhong, Yan; Zhang, XiaoPing; Wu, Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o298
• a: 12.511 ± 0.003 Å
• b: 12.564 ± 0.003 Å
• c: 13.601 ± 0.003 Å
• α: 88.13 ± 0.03°
• β: 70.62 ± 0.03°
• γ: 65.84 ± 0.03°
• Cell volume: 1826.9 ± 1 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: 0.1602
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes