Information card for entry 2234022

Structure parameters

• Common name: 2-((<i>E</i>)-{3-[(<i>E</i>)-2-Hydroxy-3,5-diiodobenzylideneamino]- 2,2-dimethylpropyl}iminomethyl)-4,6-diiodophenol
• Chemical name: 2-((<i>E</i>)-{3-[(<i>E</i>)-2-Hydroxy-3,5-diiodobenzylideneamino]- 2,2-dimethylpropyl}iminomethyl)-4,6-diiodophenol
• Formula: C19 H18 I4 N2 O2
• Calculated formula: C19 H18 I4 N2 O2
• SMILES: IC1=C/C(=C/NCC(CN/C=C2/C=C(I)C=C(C2=O)I)(C)C)C(=O)C(=C1)I
• Title of publication: 2-((<i>E</i>)-{3-[(<i>E</i>)-2-Hydroxy-3,5-diiodobenzylideneamino]-2,2-dimethylpropyl}iminomethyl)-4,6-diiodophenol
• Authors of publication: Kargar, Hadi; Kia, Reza; Shakarami, Tayebeh; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o564
• a: 12.2057 ± 0.0005 Å
• b: 11.8169 ± 0.0005 Å
• c: 31.8157 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4588.9 ± 0.3 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: 0.1166
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0794
• 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: Yes
• Has Fobs: Yes