Information card for entry 2233700

Structure parameters

• Chemical name: [(4<i>R</i>,5<i>R</i>)-(2,2-Dimethyl-1,3-dioxolane-4,5- diyl)bis(diphenylmethanolato)]-κ^2^<i>O</i>:<i>O</i>']bis(<i>N</i>- methylmethanaminato)titanium(IV)
• Formula: C35 H40 N2 O4 Ti
• Calculated formula: C35 H40 N2 O4 Ti
• SMILES: [Ti]1(OC([C@@H]2OC(O[C@H]2C(O1)(c1ccccc1)c1ccccc1)(C)C)(c1ccccc1)c1ccccc1)(N(C)C)N(C)C
• Title of publication: [(4<i>R</i>,5<i>R</i>)-(2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanolato)-κ^2^<i>O</i>:<i>O</i>']bis(<i>N</i>-methylmethanaminato)titanium(IV)
• Authors of publication: Roteta, Leslie; Tanski, Joseph M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m217
• a: 9.493 ± 0.002 Å
• b: 21.406 ± 0.006 Å
• c: 15.743 ± 0.004 Å
• α: 90°
• β: 93.562 ± 0.004°
• γ: 90°
• Cell volume: 3192.9 ± 1.4 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes