Information card for entry 7103169

Structure parameters

• Formula: C22 H51 K N4 Zn
• Calculated formula: C22 H51 K N4 Zn
• SMILES: [K]12([N](C)(C)CC[N]2(C)CC[N]1(C)C)[N]3(C(C)(C)CCCC3(C)C)[Zn](CC)CC
• Title of publication: Structurally-defined potassium-mediated regioselective zincation of amino- and alkoxy-substituted pyridines.
• Authors of publication: Conway, Ben; Graham, David V; Hevia, Eva; Kennedy, Alan R; Klett, Jan; Mulvey, Robert E
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 23
• Pages of publication: 2638 - 2640
• a: 8.0619 ± 0.0002 Å
• b: 15.9886 ± 0.0004 Å
• c: 21.2669 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2741.27 ± 0.12 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: 0.0925
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No