Information card for entry 7125585

Structure parameters

• Formula: C24 H49 N4 Na Zn
• Calculated formula: C24 H49 N4 Na Zn
• SMILES: C1(CCCC([N]1([Na]1[N](C)(C)CC[N]1(C)C)[Zn](c1cccn1C)[C](C)(C)C)(C)C)(C)C
• Title of publication: Structurally-defined direct C-magnesiation and C-zincation of N-heterocyclic aromatic compounds using alkali-metal-mediated metallation.
• Authors of publication: Conway, Ben; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 27
• Pages of publication: 2864 - 2866
• a: 10.9318 ± 0.0003 Å
• b: 14.4362 ± 0.0004 Å
• c: 17.5664 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2772.22 ± 0.13 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: 0.0361
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No