Information card for entry 7035134

Structure parameters

• Common name: Tris-(6-methyl pyridonate) Titanium isopropoxide
• Formula: C21 H25 N3 O4 Ti
• Calculated formula: C21 H25 N3 O4 Ti
• SMILES: [Ti]12(OC(C)C)(Oc3nc(ccc3)C)(Oc3[n]2c(ccc3)C)Oc2[n]1c(ccc2)C
• Title of publication: Titanium pyridonates for the homo- and copolymerization of rac-lactide and ε-caprolactone.
• Authors of publication: Gilmour, Damon J.; Webster, Ruth L.; Perry, Mitchell R.; Schafer, Laurel L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 27
• Pages of publication: 12411 - 12419
• a: 8.742 ± 0.005 Å
• b: 8.895 ± 0.005 Å
• c: 14.24 ± 0.005 Å
• α: 77.274 ± 0.005°
• β: 84.853 ± 0.005°
• γ: 80.899 ± 0.005°
• Cell volume: 1064.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No