Information card for entry 2010144

Structure parameters

• Formula: C22 H15 Br2 N O
• Calculated formula: C22 H15 Br2 N O
• SMILES: Brc1ccc(cc1)/C=C/C(=O)c1ccc(cc1)/N=C/c1ccc(cc1)Br
• Title of publication: 1-[4-(4-Bromobenzylideneamino)phenyl]-3-(4-bromophenyl)-2-propen-1-one
• Authors of publication: Li, Z.; Su, G.; Huang, X.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 1788 - 1790
• a: 44.04 ± 0.01 Å
• b: 14.27 ± 0.005 Å
• c: 5.891 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3702 ± 3 ų
• Cell temperature: 294 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.072
• Goodness-of-fit parameter for significantly intense reflections: 1.64
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No