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Information card for entry 1565675
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Coordinates | 1565675.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H22 Cu N4 |
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Calculated formula | C22 H22 Cu N4 |
SMILES | [Cu]123[N]4=C(C=C(N1c1c([N]3=C(C=C(N2c2c4cccc2)C)C)cccc1)C)C |
Title of publication | Copper-catalyzed oxidative dehydrogenative functionalization of alkanes to allylic esters |
Authors of publication | Mondal, Rakesh; Chakraborty, Gargi; van Vliet, Kaj M.; van Leest, Nicolaas P.; de Bruin, Bas; Paul, Nanda D. |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2020 |
Journal volume | 500 |
Pages of publication | 119190 |
a | 14.32 ± 0.004 Å |
b | 16.428 ± 0.004 Å |
c | 16.311 ± 0.004 Å |
α | 90° |
β | 100.123 ± 0.007° |
γ | 90° |
Cell volume | 3777.4 ± 1.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0641 |
Residual factor for significantly intense reflections | 0.0497 |
Weighted residual factors for significantly intense reflections | 0.1148 |
Weighted residual factors for all reflections included in the refinement | 0.1202 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.68 |
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/1565675.html
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