Information card for entry 2234489

Structure parameters

• Chemical name: (3-{[2,6-Bis(1-methylethyl)phenyl]imino-<i>κN</i>}-1-phenylbut-1-en-1-olato- <i>κO</i>](dimethyl)aluminium
• Formula: C24 H32 Al N O
• Calculated formula: C24 H32 Al N O
• SMILES: [Al]1(OC(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)c1ccccc1)(C)C
• Title of publication: (3-{[2,6-Bis(1-methylethyl)phenyl]imino-κ<i>N</i>}-1-phenylbut-1-en-1-olato-κ<i>O</i>)dimethylaluminium
• Authors of publication: Hao, Haijun; Zhu, Baichun; Yi, Jianjun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m351 - m352
• a: 15.231 ± 0.004 Å
• b: 9.994 ± 0.003 Å
• c: 15.289 ± 0.004 Å
• α: 90°
• β: 102.889 ± 0.005°
• γ: 90°
• Cell volume: 2268.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1505
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes