Information card for entry 4071998

Structure parameters

• Formula: C22 H23 Al O
• Calculated formula: C22 H23 Al O
• SMILES: [Al]([O]1CCCC1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Properties of Calcium Tetraorganylalanates with [Me4−nAlPhn]−Anions
• Authors of publication: Krieck, Sven; Görls, Helmar; Westerhausen, Matthias
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 5052
• a: 9.5777 ± 0.0003 Å
• b: 12.781 ± 0.0006 Å
• c: 16.0315 ± 0.0008 Å
• α: 90°
• β: 105.089 ± 0.003°
• γ: 90°
• Cell volume: 1894.8 ± 0.15 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0936
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1309
• 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: No