Information card for entry 7014831

Structure parameters

• Formula: C27 H38 Al2 N2 O
• Calculated formula: C27 H38 Al2 N2 O
• SMILES: [Al]12([n]3c4c([O]1[Al](C)(C)C)cccc4ccc3C(=[N]2c1c(cccc1CC)CC)CC)(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: 29.76 ± 0.016 Å
• b: 12.705 ± 0.007 Å
• c: 16.265 ± 0.009 Å
• α: 90°
• β: 104.699 ± 0.007°
• γ: 90°
• Cell volume: 5949 ± 6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.2014
• Weighted residual factors for significantly intense reflections: 0.4507
• Weighted residual factors for all reflections included in the refinement: 0.4917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.383
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No