Information card for entry 2234989

Structure parameters

• Chemical name: Tris(2-acetylcyclopentan-1-onato-κ^2^<i>O</i>,<i>O</i>')aluminium
• Formula: C21 H27 Al O6
• Calculated formula: C21 H27 Al O6
• SMILES: [Al]123([O]=C(C)C4=C(O1)CCC4)([O]=C(C)C1=C(O2)CCC1)OC(=C1C(=[O]3)CCC1)C
• Title of publication: Tris(2-acetylcyclopentan-1-onato-κ^2^<i>O</i>,<i>O</i>')aluminium
• Authors of publication: Perdih, Franc
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m781
• a: 8.1785 ± 0.0003 Å
• b: 15.7494 ± 0.0006 Å
• c: 15.6615 ± 0.0005 Å
• α: 90°
• β: 94.039 ± 0.002°
• γ: 90°
• Cell volume: 2012.29 ± 0.12 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.2282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes