Information card for entry 1557836

Structure parameters

• Formula: C26 H43 Al I2 N2
• Calculated formula: C26 H43 Al I2 N2
• SMILES: I[Al](I)(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: 10.145 ± 0.002 Å
• b: 17.053 ± 0.004 Å
• c: 17.044 ± 0.003 Å
• α: 90°
• β: 102.029 ± 0.008°
• γ: 90°
• Cell volume: 2883.9 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0174
• Residual factor for significantly intense reflections: 0.0151
• Weighted residual factors for significantly intense reflections: 0.0367
• Weighted residual factors for all reflections included in the refinement: 0.0385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No