Information card for entry 4079855

Structure parameters

• Formula: C46 H62 N6 O4 Ti
• Calculated formula: C46 H62 N6 O4 Ti
• Title of publication: Facile Synthesis of Well-Defined Titanium Alkoxides Based on Benzotriazole Phenoxide Ligands: Efficient Catalysts for Ring-Opening Polymerization of Cyclic Esters
• Authors of publication: Li, Chen-Yu; Yu, Chia-Jung; Ko, Bao-Tsan
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 172
• a: 9.4538 ± 0.0003 Å
• b: 30.8648 ± 0.0008 Å
• c: 15.2809 ± 0.0004 Å
• α: 90°
• β: 106.692 ± 0.001°
• γ: 90°
• Cell volume: 4270.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1212
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No