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Information card for entry 7158616
Preview
Coordinates | 7158616.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H16 Cl Cu N5 O2 |
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Calculated formula | C25 H16 Cl Cu N5 O2 |
Title of publication | A novel quinoline-based NNN-pincer Cu(II) complex as a superior catalyst for oxidative esterification of allylic C(sp<sup>3</sup>)-H bonds. |
Authors of publication | Das, Krishna Mohan; Pal, Adwitiya; Adarsh, Nayarassery N.; Thakur, Arunabha |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2022 |
Journal volume | 20 |
Journal issue | 17 |
Pages of publication | 3540 - 3549 |
a | 8.1305 ± 0.0007 Å |
b | 9.2545 ± 0.0008 Å |
c | 14.7289 ± 0.0013 Å |
α | 96.831 ± 0.003° |
β | 98.583 ± 0.003° |
γ | 104.865 ± 0.003° |
Cell volume | 1044.74 ± 0.16 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0828 |
Residual factor for significantly intense reflections | 0.0785 |
Weighted residual factors for significantly intense reflections | 0.2316 |
Weighted residual factors for all reflections included in the refinement | 0.2338 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7158616.html
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Users of the data should acknowledge the original authors of the
structural data.