Information card for entry 7125584

Structure parameters

• Formula: C24 H32 N4 Zn
• Calculated formula: C24 H32 N4 Zn
• 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: 12.2666 ± 0.0002 Å
• b: 13.1709 ± 0.0002 Å
• c: 14.3918 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2325.17 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0444
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No