Information card for entry 1512018

Structure parameters

• Common name: (N,N-Bis(3,5-di-tert-butyl-2-benzyloxy)-2-(2-aminoethoxy)ethoxy)aluminum [(tBu-SalAmEE)Al]
• Formula: C34 H52 Al N O4
• Calculated formula: C34 H52 Al N O4
• SMILES: [Al]1234Oc5c(C[N]4(CC[O]3CCO2)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O1)cc(C(C)(C)C)cc5C(C)(C)C
• Title of publication: Lactide Cyclopolymerization Kinetics, X-ray Structure, and Solution Dynamics of (tBu-SalAmEE)Al and a Cautionary Tale Of Polymetalate Formation
• Authors of publication: Reisberg, Solomon H.; Hurley, Harry J.; Mathers, Robert T.; Tanski, Joseph M.; Getzler, Yutan D. Y. L.
• Journal of publication: Macromolecules
• Year of publication: 2013
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 3273
• a: 14.8694 ± 0.0009 Å
• b: 14.9782 ± 0.001 Å
• c: 16.7758 ± 0.0011 Å
• α: 102.749 ± 0.001°
• β: 113.644 ± 0.001°
• γ: 93.72 ± 0.001°
• Cell volume: 3288.7 ± 0.4 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.1645
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No