Information card for entry 1517304

Structure parameters

• Formula: C24 H46 Al4 N2 O2
• Calculated formula: C24 H46 Al4 N2 O2
• SMILES: [Al]1([NH]([Al]([NH]1c1ccc([O]([Al](C)(C)C)C)cc1)(C)C)c1ccc([O]([Al](C)(C)C)C)cc1)(C)C
• Title of publication: Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide)
• Authors of publication: Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 9
• Pages of publication: 3025
• a: 7.361 ± 0.0009 Å
• b: 10.0951 ± 0.0012 Å
• c: 10.6561 ± 0.0014 Å
• α: 103.037 ± 0.01°
• β: 95.097 ± 0.01°
• γ: 96.205 ± 0.01°
• Cell volume: 761.67 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.078
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 1516155
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No