Information card for entry 4307352

Structure parameters

• Formula: C32 H38 N2 O4 Ti
• Calculated formula: C32 H38 N2 O4 Ti
• SMILES: [Ti]12([n]3ccccc3CO1)([n]1ccccc1CO2)(Oc1ccccc1C(C)(C)C)Oc1c(cccc1)C(C)(C)C
• 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: 10.3667 ± 0.0016 Å
• b: 13.955 ± 0.002 Å
• c: 14.328 ± 0.002 Å
• α: 69.324 ± 0.003°
• β: 85.345 ± 0.003°
• γ: 68.971 ± 0.003°
• Cell volume: 1807.7 ± 0.5 ų
• Cell temperature: 167 ± 2 K
• Ambient diffraction temperature: 167 ± 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: 0.0571
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No