Information card for entry 4065480

Structure parameters

• Formula: C18 H18 Al N3 O
• Calculated formula: C18 H18 Al N3 O
• SMILES: [Al]12([n]3c4c(cccc4N1C(=O)c1[n]2cccc1)ccc3C)(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: 13.006 ± 0.003 Å
• b: 17.275 ± 0.004 Å
• c: 14.339 ± 0.003 Å
• α: 90°
• β: 90.54 ± 0.03°
• γ: 90°
• Cell volume: 3221.5 ± 1.3 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: 0.0804
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.1801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4065479
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No