Information card for entry 2233627

Structure parameters

• Chemical name: 2,4-Dibromo-6-[(<i>E</i>)-({3-[(<i>E</i>)-(3,5-dibromo-2-oxidobenzylidene)azaniumyl]-2,2-dimethylpropyl}iminiumyl)methyl]phenolate
• Formula: C19 H18 Br4 N2 O2
• Calculated formula: C19 H18 Br4 N2 O2
• SMILES: Brc1c(=O)c(cc(Br)c1)=CNCC(C)(C)CNC=c1c(=O)c(Br)cc(Br)c1
• Title of publication: 2,4-Dibromo-6-[(<i>E</i>)-({3-[(<i>E</i>)-(3,5-dibromo-2-oxidobenzylidene)azaniumyl]-2,2-dimethylpropyl}iminiumyl)methyl]phenolate
• Authors of publication: Kargar, Hadi; Kia, Reza; Haghshenas, Mahbubeh; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o323
• a: 11.6861 ± 0.0003 Å
• b: 11.4616 ± 0.0003 Å
• c: 31.3782 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4202.8 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1238
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes