Information card for entry 1512933

Structure parameters

• Formula: C52 H62 N2 O14 Ti2
• Calculated formula: C52 H62 N2 O14 Ti2
• SMILES: [Ti]12(OC(C)C)(Oc3cc(OC)ccc3C3=[O][Ti](Oc4cc(OC)ccc34)(OC(C)C)(Oc3c(C(=[O]2)c2c(O1)cc(OC)cc2)ccc(OC)c3)(OC(C)C)[n]1ccccc1)(OC(C)C)[n]1ccccc1
• 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: 10.2528 ± 0.0015 Å
• b: 11.0102 ± 0.0015 Å
• c: 12.667 ± 0.0018 Å
• α: 96.958 ± 0.002°
• β: 90.154 ± 0.002°
• γ: 110.593 ± 0.002°
• Cell volume: 1327.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0626
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No