Information card for entry 7111149

Structure parameters

• Formula: C24 H42 Al4 N6
• Calculated formula: C24 H42 Al4 N6
• SMILES: C[Al]1(C)[N]2=C(C)N[Al]([NH]3c4c(cccc4)[N]([Al]3(C)C)=C(C)N[Al]([NH]1c1c2cccc1)(C)C)(C)C
• Title of publication: Aluminium-containing ring systems and N-heterocycle formation via nitrile insertions into Al‒N bonds
• Authors of publication: Gibson, Vernon C.; Redshaw, Carl; White, Andrew J. P.; Williams, David J.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 1
• Pages of publication: 79
• a: 8.7173 ± 0.0005 Å
• b: 16.8678 ± 0.0007 Å
• c: 20.416 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3002 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• 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: 0.116
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections: 0.241
• Weighted residual factors for significantly intense reflections: 0.1729
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.119
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No