Information card for entry 7103170

Structure parameters

• Formula: C40 H84 K2 N10 Zn2
• Calculated formula: C40 H84 K2 N10 Zn2
• SMILES: c12cc(cc[n]2[Zn](c2cc(cc[n]2[Zn]1(CC)CC)N(C)C)(CC)CC)N(C)C.[K]12[N](C)(C)CC[N]1(C)CC[N]2(C)C.[K]12[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: 28.3709 ± 0.0008 Å
• b: 12.1545 ± 0.0003 Å
• c: 18.5001 ± 0.0005 Å
• α: 90°
• β: 128.617 ± 0.001°
• γ: 90°
• Cell volume: 4984.5 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No