Information card for entry 2224525

Structure parameters

• Chemical name: Tris(methyl 3-oxobutanoato-κ^2^O,O')aluminium(III)
• Formula: C15 H21 Al O9
• Calculated formula: C15 H21 Al O9
• SMILES: [Al]123(OC(=CC(=[O]1)C)OC)(OC(=CC(=[O]2)C)OC)[O]=C(OC)C=C(O3)C
• Title of publication: Tris(methyl 3-oxobutanoato-κ^2^<i>O</i>,<i>O</i>')aluminium(III)
• Authors of publication: Neelgund, Gururaj M.; Shivashankar, S. A.; Narasimhamurthy, T.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1681
• a: 6.476 ± 0.001 Å
• b: 9.986 ± 0.002 Å
• c: 14.368 ± 0.002 Å
• α: 90.478 ± 0.002°
• β: 92.229 ± 0.002°
• γ: 99.337 ± 0.002°
• Cell volume: 916.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes