Information card for entry 4303518

Structure parameters

• Chemical name: Ti(L_OMe)(OiPr)2
• Formula: C27 H43 N3 O7 S2 Ti
• Calculated formula: C27 H43 N3 O7 S2 Ti
• 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: 9.9927 ± 0.0001 Å
• b: 9.6963 ± 0.0001 Å
• c: 31.4855 ± 0.0004 Å
• α: 90°
• β: 92.733 ± 0.001°
• γ: 90°
• Cell volume: 3047.23 ± 0.06 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: 0.0532
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No