Information card for entry 2232905

Structure parameters

• Chemical name: (<i>E</i>)-1-{4-[Bis(4-bromophenyl)methyl]piperazin-1-yl}-3-(4- bromophenyl)prop-2-en-1-one
• Formula: C26 H23 Br3 N2 O
• Calculated formula: C26 H23 Br3 N2 O
• SMILES: O=C(N1CCN(CC1)C(c1ccc(Br)cc1)c1ccc(Br)cc1)/C=C/c1ccc(Br)cc1
• Title of publication: (<i>E</i>)-1-{4-[Bis(4-bromophenyl)methyl]piperazin-1-yl}-3-(4-bromophenyl)prop-2-en-1-one
• Authors of publication: Zhong, Yan; Zhang, XiaoPing; Wu, Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3358
• a: 9.956 ± 0.002 Å
• b: 11.624 ± 0.002 Å
• c: 21.31 ± 0.004 Å
• α: 90°
• β: 101.45 ± 0.03°
• γ: 90°
• Cell volume: 2417.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1668
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes