Information card for entry 7101971

Structure parameters

• Formula: C30 H64 Al Li N2
• Calculated formula: C30 H64 Al Li N2
• SMILES: [Al]1([CH2](C(C)C)[Li]([N]21C(CCCC2(C)C)(C)C)[NH]1C(CCCC1(C)C)(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: 8.5631 ± 0.0002 Å
• b: 18.641 ± 0.0005 Å
• c: 10.6743 ± 0.0003 Å
• α: 90°
• β: 105.995 ± 0.002°
• γ: 90°
• Cell volume: 1637.92 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No