Information card for entry 1546359

Structure parameters

• Common name: isobutyl-TAxEDA
• Chemical name: tri(isobutyl)aluminum adduct of (2-dibenzylamino)ethoxy-di(isobutyl)aluminum
• Formula: C36 H63 Al2 N O
• Calculated formula: C36 H63 Al2 N O
• SMILES: C1C[N](Cc2ccccc2)(Cc2ccccc2)[Al](CC(C)C)(CC(C)C)[O]1[Al](CC(C)C)(CC(C)C)CC(C)C
• Title of publication: Four-fold increase in epoxide polymerization rate with change of alkyl-substitution on mono-µ-oxo-dialuminum initiators
• Authors of publication: Ferrier, Robert; Imbrogno, Jennifer; Rodriguez, Christina; Chwatko, Malgorzata; Meyer, Paul William; Lynd, Nathaniel A.
• Journal of publication: Polym. Chem.
• Year of publication: 2017
• a: 21.17 ± 0.004 Å
• b: 13.038 ± 0.003 Å
• c: 28.359 ± 0.006 Å
• α: 90°
• β: 110.776 ± 0.004°
• γ: 90°
• Cell volume: 7319 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1319
• Residual factor for significantly intense reflections: 0.0928
• Weighted residual factors for significantly intense reflections: 0.2097
• Weighted residual factors for all reflections included in the refinement: 0.2279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No