Information card for entry 7712495

Structure parameters

• Formula: C28 H32 N2 O
• Calculated formula: C28 H32 N2 O
• SMILES: O1C(=N[C@@H](Cc2ccccc2)C1)c1c(Nc2c(cccc2C(C)C)C(C)C)cccc1
• 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: 10.5622 ± 0.0001 Å
• b: 10.5622 ± 0.0001 Å
• c: 37.6815 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3640.55 ± 0.06 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No