Information card for entry 7101312

Structure parameters

• Formula: C32 H64 Al N4 Na
• Calculated formula: C32 H64 Al N4 Na
• SMILES: [N]1([Na]2([N](C)(CC[N]2(C)C)C)[N](C)(C)CC1)(C)C.[Al](CC(C)C)(CC(C)C)(CC(C)C)C#Cc1ccccc1
• Title of publication: New reactivity and structural insights of alkali-metal-mediated alumination in directed ortho-alumination of a tertiary aromatic amide
• Authors of publication: R. E. Mulvey; Joaquin Garcia-Alvarez; D. Graham; Alan Kennedy; Susan Weatherstone
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 30
• a: 9.4085 ± 0.0004 Å
• b: 9.7578 ± 0.0004 Å
• c: 10.5611 ± 0.0004 Å
• α: 102.489 ± 0.002°
• β: 102.94 ± 0.002°
• γ: 91.186 ± 0.002°
• Cell volume: 920.16 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No