Information card for entry 7101972

Structure parameters

• Formula: C27 H60 Al Li N2
• Calculated formula: C27 H60 Al Li N2
• SMILES: [Al]([N]1([Li][N](CC)(CC)CC)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: 10.5683 ± 0.0007 Å
• b: 11.0648 ± 0.0007 Å
• c: 14.9605 ± 0.0007 Å
• α: 96.822 ± 0.004°
• β: 105.87 ± 0.003°
• γ: 113.03 ± 0.003°
• Cell volume: 1497.42 ± 0.15 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1211
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No