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Information card for entry 7157320
Preview
Coordinates | 7157320.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H8 Br F N2 |
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Calculated formula | C13 H8 Br F N2 |
Title of publication | Copper-mediated oxidative [3 + 2]-annulation of nitroalkenes and pyridinium imines: efficient synthesis of 3-fluoro- and 3-nitro-pyrazolo[1,5-a]pyridines. |
Authors of publication | Motornov, Vladimir A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2020 |
Journal volume | 18 |
Journal issue | 7 |
Pages of publication | 1436 - 1448 |
a | 18.542 ± 0.0012 Å |
b | 4.0333 ± 0.0003 Å |
c | 22.2351 ± 0.0015 Å |
α | 90° |
β | 138.944 ± 0.001° |
γ | 90° |
Cell volume | 1092.17 ± 0.13 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 5 |
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 | 0.0287 |
Residual factor for significantly intense reflections | 0.0228 |
Weighted residual factors for significantly intense reflections | 0.0547 |
Weighted residual factors for all reflections included in the refinement | 0.0573 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0206 |
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/7157320.html
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Users of the data should acknowledge the original authors of the
structural data.