Information card for entry 7712494

Structure parameters

• Formula: C45 H40 Al Cl2 N2 O
• Calculated formula: C45 H40 Al Cl2 N2 O
• Title of publication: Synthesis, Characterisation and Reactivity studies of Chiral β-Diketiminate-like Supported Aluminium Lewis Acid Complexes Towards Difficult Diels Alder Cycloadditions
• Authors of publication: Dissanayake, Deepamali; Forsyth, Craig M.; Vidovic, Dragoslav
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 12.7756 ± 0.0002 Å
• b: 9.9253 ± 0.0002 Å
• c: 30.1239 ± 0.0005 Å
• α: 90°
• β: 98.056 ± 0.002°
• γ: 90°
• Cell volume: 3782.07 ± 0.12 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No