Information card for entry 7014830

Structure parameters

• Formula: C26 H33 Al N2 O
• Calculated formula: C26 H33 Al N2 O
• SMILES: [Al]1(Oc2c3[n]1c(C(=N\c1c(C(C)C)cccc1C(C)C)\CC)ccc3ccc2)(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: 10.237 ± 0.002 Å
• b: 15.701 ± 0.003 Å
• c: 14.671 ± 0.003 Å
• α: 90°
• β: 95.25 ± 0.03°
• γ: 90°
• Cell volume: 2348.2 ± 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: 0.096
• Weighted residual factors for significantly intense reflections: 0.2285
• Weighted residual factors for all reflections included in the refinement: 0.2351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.274
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No