Information card for entry 7712489

Structure parameters

• Formula: C91 H85 Cl3 N4 O2
• Calculated formula: C91 H85 Cl3 N4 O2
• 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: 25.8439 ± 0.0002 Å
• b: 10.5505 ± 0.0001 Å
• c: 28.3697 ± 0.0002 Å
• α: 90°
• β: 101.678 ± 0.001°
• γ: 90°
• Cell volume: 7575.34 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No