Information card for entry 1517306

Structure parameters

• Formula: C31 H54 Al4 N2 O2
• Calculated formula: C31 H54 Al4 N2 O2
• 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: 7.1092 ± 0.0004 Å
• b: 21.245 ± 0.0012 Å
• c: 12.33 ± 0.0007 Å
• α: 90°
• β: 92.839 ± 0.002°
• γ: 90°
• Cell volume: 1859.98 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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 all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 1516157
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No