Information card for entry 4307350

Structure parameters

• Common name: 8
• Formula: C44 H50 N2 O4 Ti
• Calculated formula: C44 H50 N2 O4 Ti
• SMILES: [Ti]12(OCc3[n]1cccc3)(OCc1[n]2cccc1)(Oc1ccc(cc1)C12CC3CC(C2)CC(C1)C3)Oc1ccc(cc1)C12CC3CC(C1)CC(C3)C2
• Title of publication: Controlled Synthesis of a Structurally Characterized Family of Sterically Constrained Heterocyclic Alkoxy-Modified Titanium Alkoxides
• Authors of publication: Timothy J. Boyle; Robin M. Sewell; Leigh Anna M. Ottley; Harry D. Pratt; Christopher J. Quintana; Scott D. Bunge
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1825 - 1835
• a: 12.663 ± 0.008 Å
• b: 13.221 ± 0.008 Å
• c: 14.489 ± 0.012 Å
• α: 63.106 ± 0.011°
• β: 82.596 ± 0.019°
• γ: 89.942 ± 0.013°
• Cell volume: 2141 ± 3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.2014
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.177
• Weighted residual factors for all reflections included in the refinement: 0.2142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No