Information card for entry 7113266

Structure parameters

• Formula: C32 H68 Al Li O8
• Calculated formula: C32 H68 Al Li O8
• SMILES: C(C)(C)C[Al](CC(C)C)(CC(C)C)CC(C)C.[Li]([O]1CCOCC1)([O]1CCOCC1)([O]1CCOCC1)[O]1CCOCC1
• Title of publication: Lewis base stabilized lithium TMP-aluminates: an unexpected fragmentation and capture reaction involving cyclic ether 1,4-dioxane
• Authors of publication: García-Álvarez, Joaquín; Hevia, Eva; Kennedy, Alan R.; Klett, Jan; Mulvey, Robert E.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2007
• Journal issue: 23
• Pages of publication: 2402 - 2404
• a: 19.1742 ± 0.001 Å
• b: 19.4623 ± 0.0009 Å
• c: 19.9819 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7456.7 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7101975
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No