Information card for entry 7014829

Structure parameters

• Formula: C22 H25 Al N2 O
• Calculated formula: C22 H25 Al N2 O
• SMILES: [Al]12(Oc3c4[n]2c(C(=[N]1c1c(cccc1C)C)CC)ccc4ccc3)(C)C
• Title of publication: Methylaluminium 8-quinolinolates: synthesis, characterization and use in ring-opening polymerization (ROP) of ε-caprolactone
• Authors of publication: Sun, Wen-Hua; Shen, Miao; Zhang, Wenjuan; Huang, Wei; Liu, Shaofeng; Redshaw, Carl
• Journal of publication: Dalton Transactions
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 11
• Pages of publication: 2645
• a: 14.043 ± 0.003 Å
• b: 9.4295 ± 0.0019 Å
• c: 15.913 ± 0.003 Å
• α: 90°
• β: 110.56 ± 0.03°
• γ: 90°
• Cell volume: 1973 ± 0.8 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 significantly intense reflections: 0.1086
• Weighted residual factors for significantly intense reflections: 0.195
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No