Information card for entry 1512934

Structure parameters

• Formula: C45 H78 O11 Ti2
• Calculated formula: C45 H78 O11 Ti2
• SMILES: O(c1ccc2C3=[O]4[Ti]5([O]([Ti]4([O]5CC(C)(C)C)(Oc2c1)(OCC(C)(C)C)OCC(C)(C)C)CC(C)(C)C)(Oc1c3ccc(OC)c1)(OCC(C)(C)C)OCC(C)(C)C)C
• Title of publication: Structural characterization of the coordination behavior of 4,4'-di-methoxy,2,2'-di-ol-benzophenone modified metal alkoxides
• Authors of publication: Timothy J. Boyle; Leigh Anna M. Ottley
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2010
• Journal volume: 364
• Journal issue: 1
• Pages of publication: 69 - 80
• a: 10.486 ± 0.0014 Å
• b: 26.865 ± 0.004 Å
• c: 18.365 ± 0.002 Å
• α: 90°
• β: 99.318 ± 0.003°
• γ: 90°
• Cell volume: 5105.3 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0997
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.1921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No