Information card for entry 4065478

Structure parameters

• Formula: C20 H21 Al N2 O2
• Calculated formula: C20 H21 Al N2 O2
• SMILES: [Al]1([n]2c3c(N1C(=O)c1ccc(OC)cc1)cccc3ccc2C)(C)C
• Title of publication: Synthesis and Characterization of Dialkylaluminum Amidates and Their Ring-Opening Polymerization of ε-Caprolactone
• Authors of publication: Zhang, Wenjuan; Wang, Youhong; Cao, Ji; Wang, Lin; Pan, Yi; Redshaw, Carl; Sun, Wen-Hua
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 22
• Pages of publication: 6253
• a: 8.9394 ± 0.0018 Å
• b: 26.659 ± 0.005 Å
• c: 7.5551 ± 0.0015 Å
• α: 90°
• β: 94.03 ± 0.03°
• γ: 90°
• Cell volume: 1796 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No