Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7157320
Preview
| Coordinates | 7157320.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C13 H8 Br F N2 |
|---|---|
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157320.cif |
| 249045 | 2020-03-05 | cif/ Updating files of 7157320, 7157321 Original log message: Adding full bibliography for 7157320--7157321.cif. |
7157320.cif |
| 247240 | 2020-01-25 | cif/ Adding structures of 7157320, 7157321 via cif-deposit CGI script. |
7157320.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.