Information card for entry 7043118

Structure parameters

• Formula: C34 H56 Al2 N2 O2
• Calculated formula: C34 H56 Al2 N2 O2
• SMILES: c1ccc2CCC[C@H]3c2[n]1[Al]1([O]3[Al]2([n]3cccc4CCC[C@H](c34)[O]12)(CC(C)C)CC(C)C)(CC(C)C)CC(C)C
• Title of publication: Thermo-enhanced ring-opening polymerization of ε-caprolactone: The synthesis, characterization and catalytic behavior of aluminum hydroquinolin-8-olates
• Authors of publication: Zhang, Qiurui; Zhang, Wenjuan; Rajendran, Natesan Mannangatti; Liang, Tongling; Sun, Wen Hua
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.2441 ± 0.0018 Å
• b: 9.926 ± 0.002 Å
• c: 10.261 ± 0.002 Å
• α: 69.83 ± 0.03°
• β: 85.85 ± 0.03°
• γ: 79.94 ± 0.03°
• Cell volume: 870.1 ± 0.3 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No