Information card for entry 4129220

Structure parameters

• Formula: C38 H62 Al Li O4
• Calculated formula: C38 H62 Al Li O4
• SMILES: [Al]1([O]2[Li]34567([O](C2=C(C)C)C(C)C)[c]2([c]4([cH]5[c]6([cH]7[c]32C(C)(C)C)C)C(C)(C)C)O1)(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)C
• Title of publication: Single-site anionic polymerization. Monomeric ester enolaluminate propagator synthesis, molecular structure, and polymerization mechanism.
• Authors of publication: Rodriguez-Delgado, Antonio; Chen, Eugene Y.-X.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Journal issue: 3
• Pages of publication: 961 - 974
• a: 9.119 ± 0.007 Å
• b: 24.277 ± 0.017 Å
• c: 17.121 ± 0.012 Å
• α: 90°
• β: 93.528 ± 0.016°
• γ: 90°
• Cell volume: 3783 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0979
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No