Information card for entry 7108704

Structure parameters

• Formula: C18 H26 N2 O4 Ti
• Calculated formula: C18 H26 N2 O4 Ti
• SMILES: c12[n](c(ccc1)C)[Ti]1(Oc3cccc([n]13)C)(O2)(OC(C)C)OC(C)C
• Title of publication: Titanium pyridonates and amidates: novel catalysts for the synthesis of random copolymers
• Authors of publication: Ruth L. Webster; Nazbanoo Noroozi; Savvas G. Hatzikiriakos; Jaclyn A. Thomson; Laurel L. Schafer
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 57
• a: 11.5499 ± 0.0006 Å
• b: 13.1813 ± 0.0006 Å
• c: 26.74 ± 0.001 Å
• α: 90°
• β: 102.394 ± 0.003°
• γ: 90°
• Cell volume: 3976.1 ± 0.3 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: 0.0564
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No