Information card for entry 7101973

Structure parameters

• Formula: C34 H64 Al Li N2 O
• Calculated formula: C34 H64 Al Li N2 O
• SMILES: [Al]([N]1([Li][O]=C(N(C(C)C)C(C)C)c1ccccc1)C(CCCC1(C)C)(C)C)(CC(C)C)(CC(C)C)CC(C)C
• 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: 18.9601 ± 0.0005 Å
• b: 16.2475 ± 0.0004 Å
• c: 11.5036 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3543.73 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No