Information card for entry 4303517

Structure parameters

• Chemical name: Ti(L_py)(OiPr)2
• Formula: C30 H42 N4 O6 S2 Ti
• Calculated formula: C30 H42 N4 O6 S2 Ti
• SMILES: [Ti]123(OC(C)C)(OC(C)C)N(S(=O)(=O)c4ccc(cc4)C)CC[N]1(Cc1[n]3cccc1)CCN2S(=O)(=O)c1ccc(cc1)C
• Title of publication: Sulfonamide-Supported Group 4 Catalysts for the Ring-Opening Polymerization of ε-Caprolactone and rac-Lactide
• Authors of publication: Andrew D. Schwarz; Amber L. Thompson; Philip Mountford
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10442 - 10454
• a: 8.9177 ± 0.0018 Å
• b: 9.6354 ± 0.0019 Å
• c: 36.811 ± 0.007 Å
• α: 90°
• β: 90 ± 0.03°
• γ: 90°
• Cell volume: 3163 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.142
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.1717
• Weighted residual factors for all reflections included in the refinement: 0.2026
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No