Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7242580
Preview
| Coordinates | 7242580.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H11 F N4 O2 |
|---|---|
| Calculated formula | C14 H11 F N4 O2 |
| Title of publication | Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties |
| Authors of publication | Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 17 |
| Pages of publication | 3220 - 3229 |
| a | 28.9051 ± 0.0018 Å |
| b | 3.9102 ± 0.0002 Å |
| c | 11.6155 ± 0.0007 Å |
| α | 90° |
| β | 108.226 ± 0.003° |
| γ | 90° |
| Cell volume | 1246.97 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0301 |
| Residual factor for significantly intense reflections | 0.0286 |
| Weighted residual factors for significantly intense reflections | 0.0739 |
| Weighted residual factors for all reflections included in the refinement | 0.0755 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265942 (current) | 2021-06-05 | cif/ Updating files of 7242574, 7242575, 7242576, 7242577, 7242578, 7242579, 7242580 Original log message: Adding full bibliography for 7242574--7242580.cif. |
7242580.cif |
| 263505 | 2021-04-01 | cif/ Adding structures of 7242574, 7242575, 7242576, 7242577, 7242578, 7242579, 7242580 via cif-deposit CGI script. |
7242580.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.