Information card for entry 7712496

Structure parameters

• Formula: C34 H36 N2 O
• Calculated formula: C34 H36 N2 O
• SMILES: O1C(=N[C@@H](C(c2ccccc2)c2ccccc2)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: 15.9991 ± 0.0002 Å
• b: 10.0533 ± 0.0001 Å
• c: 19.1215 ± 0.0002 Å
• α: 90°
• β: 112.015 ± 0.002°
• γ: 90°
• Cell volume: 2851.32 ± 0.07 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No