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Information card for entry 1553822
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Coordinates | 1553822.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H15 N3 O4 |
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Calculated formula | C19 H15 N3 O4 |
Title of publication | Selective cross-dehydrogenative C‒O coupling of N-hydroxy compounds with pyrazolones. Introduction of the diacetyliminoxyl radical into the practice of organic synthesis |
Authors of publication | Krylov, Igor B.; Paveliev, Stanislav A.; Shelimov, Boris N.; Lokshin, Boris V.; Garbuzova, Irina A.; Tafeenko, Viktor A.; Chernyshev, Vladimir V.; Budnikov, Alexander S.; Nikishin, Gennady I.; Terent'ev, Alexander O. |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2017 |
Journal volume | 4 |
Journal issue | 10 |
Pages of publication | 1947 |
a | 16.2553 ± 0.0002 Å |
b | 8.3116 ± 0.0001 Å |
c | 24.8996 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3364.12 ± 0.08 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 4 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.078 |
Residual factor for significantly intense reflections | 0.0593 |
Weighted residual factors for significantly intense reflections | 0.1415 |
Weighted residual factors for all reflections included in the refinement | 0.1484 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.893 |
Diffraction radiation wavelength | 1.54186 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1553822.html
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