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Information card for entry 7103171
Preview
Coordinates | 7103171.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H39 K N4 O Zn |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/7103171.html
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