Information card for entry 2240020

Structure parameters

• Formula: C32 H47 Al O
• Calculated formula: C32 H47 Al O
• SMILES: [Al](Oc1c(cc(cc1C12CC3CC(CC(C1)C3)C2)C(C)(C)C)C12CC3CC(CC(C1)C3)C2)(C)C
• Title of publication: Crystal structure of (2,6-di-adamantyl-4-<i>tert</i>-butyl-phenolato-<i>{κ</i>O})(di-methyl-<i>{κ</i>C})aluminium(III)
• Authors of publication: Wang, Lei; Yang, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: m352
• a: 7.266 ± 0.004 Å
• b: 20.93 ± 0.01 Å
• c: 18.2 ± 0.009 Å
• α: 90°
• β: 95.038 ± 0.006°
• γ: 90°
• Cell volume: 2757 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1684
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.1938
• Weighted residual factors for all reflections included in the refinement: 0.219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes