Information card for entry 4346462

Structure parameters

• Formula: C28 H41 Al O Si2
• Calculated formula: C28 H41 Al O Si2
• SMILES: [Si](C1=C(C(=C([Si](C)(C)C)[Al]1([O]1CCCC1)CC)c1ccccc1)c1ccccc1)(C)(C)C
• Title of publication: Lithium Aluminate Complexes and Alumoles from 1,4-Dilithio-1,3-Butadienes and AlEt2Cl.
• Authors of publication: Zhang, Yongliang; Wei, Junnian; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 10695 - 10700
• a: 10.496 ± 0.0004 Å
• b: 14.1896 ± 0.0006 Å
• c: 19.4829 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2901.7 ± 0.2 ų
• Cell temperature: 285.29 ± 0.1 K
• Ambient diffraction temperature: 285.29 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No