Information card for entry 1557840

Structure parameters

• Formula: C54 H90 Al2 N4
• Calculated formula: C54 H90 Al2 N4
• SMILES: [Al]1([Al](c2c(cc(cc2C(C)C)C(C)C)C(C)C)(=C2N(C(=C(N2C(C)C)C)C)C(C)C)CC1)(c1c(cc(cc1C(C)C)C(C)C)C(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C
• Title of publication: Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis
• Authors of publication: Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 18
• Pages of publication: 4817 - 4827
• a: 12.4062 ± 0.001 Å
• b: 18.1378 ± 0.0016 Å
• c: 24.62 ± 0.002 Å
• α: 90°
• β: 101.846 ± 0.003°
• γ: 90°
• Cell volume: 5422 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.1923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No