Information card for entry 7026881

Structure parameters

• Common name: (R,Λ)-(Tol2Bobbinap)Ti(OiPr)2
• Chemical name: (R,Λ)-(1,1'-Binaphthyl-2,2'-bis(4-p-tolyl-2,4-butanedionato))- diisopropoxytitanium(IV)
• Formula: C48 H46 O6 Ti
• Calculated formula: C48 H46 O6 Ti
• SMILES: [Ti]123(OC(=CC(=[O]1)c1ccc(cc1)C)Cc1c(c4ccccc4cc1)c1c(CC(=CC(=[O]3)c3ccc(cc3)C)O2)ccc2ccccc12)(OC(C)C)OC(C)C
• Title of publication: Optically active bis(β-diketonate) complexes of titanium.
• Authors of publication: Kongprakaiwoot, Natcharee; Armstrong, Jack B.; Noll, Bruce C.; Brown, Seth N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 42
• Pages of publication: 10105 - 10115
• a: 11.6568 ± 0.0003 Å
• b: 7.824 ± 0.0002 Å
• c: 21.7522 ± 0.0006 Å
• α: 90°
• β: 92.533 ± 0.0016°
• γ: 90°
• Cell volume: 1981.92 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No