Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7160878
Preview
| Coordinates | 7160878.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H9 N O2 |
|---|---|
| Calculated formula | C10 H9 N O2 |
| Title of publication | Fe(NO₃)₃•9H₂O-Mediated Visible-Light Photocatalysis for the Nitration of Cyclobutanols: Access to Functionalized Nitrocyclobutenes |
| Authors of publication | Jiang, Dongfang; Yang, Can; Man, Xinying; Li, Xin; Wang, Haifei; Qi, Zhenjie; Song, Yunlin |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 7.1171 ± 0.0002 Å |
| b | 17.9923 ± 0.0006 Å |
| c | 7.2098 ± 0.0002 Å |
| α | 90° |
| β | 106.534 ± 0.004° |
| γ | 90° |
| Cell volume | 885.06 ± 0.05 Å3 |
| Cell temperature | 290.89 ± 0.1 K |
| Ambient diffraction temperature | 290.89 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0483 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.1201 |
| Weighted residual factors for all reflections included in the refinement | 0.1242 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303451 (current) | 2025-11-27 | cif/ Adding structures of 7160878 via cif-deposit CGI script. |
7160878.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.