Information card for entry 2234389

Structure parameters

• Chemical name: (<i>E</i>)-1-{4-[Bis(4-methoxyphenyl)methyl]piperazin-1-yl}-3-(4-ethoxy-3- methoxyphenyl)prop-2-en-1-one
• Formula: C31 H36 N2 O5
• Calculated formula: C31 H36 N2 O5
• SMILES: N1(C(c2ccc(OC)cc2)c2ccc(OC)cc2)CCN(CC1)C(=O)/C=C/c1cc(OC)c(OCC)cc1
• Title of publication: (<i>E</i>)-1-{4-[Bis(4-methoxyphenyl)methyl]piperazin-1-yl}-3-(4-ethoxy-3-methoxyphenyl)prop-2-en-1-one
• Authors of publication: Zhong, Yan; Zhang, Xiao-Ping; Wu, Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1259
• a: 8.745 ± 0.0017 Å
• b: 11.635 ± 0.002 Å
• c: 13.967 ± 0.003 Å
• α: 84.07 ± 0.03°
• β: 78.8 ± 0.03°
• γ: 80.48 ± 0.03°
• Cell volume: 1371.1 ± 0.5 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: 0.1145
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes