Information card for entry 2239907

Structure parameters

• Chemical name: [[2-(3,5-Di-<i>tert</i>-butyl-2-oxobenzylideneamino)-2'-oxo-6,6'-dimethyl-1,1'-biphenyl-κ^3^<i>N</i>,<i>O</i>^1^,<i>O</i>^2^]bis(isopropoxido-κ<i>O</i>)titanium(IV)]
• Formula: C35 H47 N O4 Ti
• Calculated formula: C35 H47 N O4 Ti
• SMILES: c12cccc(C)c1c1c(C)cccc1[N]1=Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3O[Ti]1(O2)(OC(C)C)OC(C)C
• Title of publication: Crystal structure of [[2-(3,5-di-<i>tert</i>-butyl-2-oxobenzylideneamino)-2'-oxo-6,6'-dimethyl-1,1'-biphenyl-κ^3^<i>N</i>,<i>O</i>^1^,<i>O</i>^2^]bis(isopropoxido-κ<i>O</i>)titanium(IV)]
• Authors of publication: Chen, Liang; Wang, Huiran; Deng, Xuebin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: m332
• a: 11.5511 ± 0.0011 Å
• b: 11.9083 ± 0.001 Å
• c: 12.6336 ± 0.0011 Å
• α: 80.941 ± 0.002°
• β: 72.869 ± 0.001°
• γ: 87.253 ± 0.002°
• Cell volume: 1640 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes