Information card for entry 2208303

Structure parameters

• Chemical name: Tris(tert-butyl 3-oxobutanoato-κ^2^O^1^,O^3^)aluminium(III)
• Formula: C24 H39 Al O9
• Calculated formula: C24 H39 Al O9
• SMILES: [Al]123(OC(=CC(=[O]1)C)OC(C)(C)C)(OC(=CC(=[O]2)C)OC(C)(C)C)[O]=C(C=C(O3)OC(C)(C)C)C
• Title of publication: Tris(<i>tert</i>-butyl 3-oxobutanoato-κ^2^<i>O</i>^1^,<i>O</i>^3^)aluminium(III) at 153 K
• Authors of publication: Dharmaprakash, M. S.; Thamotharan, S.; Neelgund, Gururaj M.; Shivashankar, S. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m434 - m436
• a: 9.566 ± 0.0016 Å
• b: 16.241 ± 0.003 Å
• c: 18.211 ± 0.003 Å
• α: 90°
• β: 100.464 ± 0.003°
• γ: 90°
• Cell volume: 2782.2 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0849
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes