Information card for entry 7103171

Structure parameters

• Formula: C19 H39 K N4 O Zn
• Calculated formula: C19 H39 K N4 O Zn
• SMILES: [K]12([O](c4c([Zn](CC)CC)cncc4)C)[N](C)(C)CC[N]1(C)CC[N]2(C)C
• 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: 19.3708 ± 0.0011 Å
• b: 7.6797 ± 0.0004 Å
• c: 16.2156 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2412.3 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No