Information card for entry 1546358

Structure parameters

• Common name: Me-TAxEDA
• Formula: C21 H33 Al2 N O
• Calculated formula: C21 H33 Al2 N O
• SMILES: C1C[N](Cc2ccccc2)(Cc2ccccc2)[Al](C)(C)[O]1[Al](C)(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: 12.5747 ± 0.0019 Å
• b: 7.0541 ± 0.0012 Å
• c: 24.349 ± 0.004 Å
• α: 90°
• β: 90.098 ± 0.008°
• γ: 90°
• Cell volume: 2159.8 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1208
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No