Information card for entry 7107345

Structure parameters

• Formula: C25 H54 Li N5 Zn
• Calculated formula: C25 H54 Li N5 Zn
• Title of publication: New lithium-zincate approaches for the selective functionalisation of pyrazine: direct dideprotozincation vs. nucleophilic alkylation
• Authors of publication: Sharon E. Baillie; Victoria L. Blair; David C. Blakemore; Duncan Hay; Alan R. Kennedy; David C. Pryde; Eva Hevia
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 1985
• a: 13.0384 ± 0.0008 Å
• b: 14.2144 ± 0.0008 Å
• c: 16.4829 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3054.8 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.787
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No