Information card for entry 2231906

Structure parameters

• Chemical name: (<i>E</i>)-1-{4-[Bis(4-methoxyphenyl)methyl]piperazin-1-yl}- 3-(4-methylphenyl)prop-2-en-1-one
• Formula: C29 H32 N2 O3
• Calculated formula: C29 H32 N2 O3
• SMILES: O(c1ccc(cc1)C(N1CCN(CC1)C(=O)/C=C/c1ccc(cc1)C)c1ccc(OC)cc1)C
• Title of publication: (<i>E</i>)-1-{4-[Bis(4-methoxyphenyl)methyl]piperazin-1-yl}-3-(4-methylphenyl)prop-2-en-1-one
• Authors of publication: Zhong, Yan; Wu, Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2791
• a: 10.114 ± 0.002 Å
• b: 11.867 ± 0.002 Å
• c: 21.573 ± 0.004 Å
• α: 90°
• β: 97.12 ± 0.03°
• γ: 90°
• Cell volume: 2569.3 ± 0.8 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: 0.1424
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes