Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7249953
Preview
| Coordinates | 7249953.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H14 Cu2 N4 O14 |
|---|---|
| Calculated formula | C19 H14 Cu2 N4 O14 |
| Title of publication | Adding value to terpenes: Copper-catalyzed oxidation of α-pinene in water under micellar conditions |
| Authors of publication | Correia, Gilvan; Franco, Chris Hebert Jesus; Kirillova, Marina; Gallou, Fabrice; Kirillov, Alexander |
| Journal of publication | Green Chemistry |
| Year of publication | 2024 |
| a | 8.169 ± 0.003 Å |
| b | 9.891 ± 0.005 Å |
| c | 14.098 ± 0.006 Å |
| α | 105.24 ± 0.02° |
| β | 96.014 ± 0.015° |
| γ | 90.575 ± 0.015° |
| Cell volume | 1092.2 ± 0.8 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0999 |
| Residual factor for significantly intense reflections | 0.0656 |
| Weighted residual factors for significantly intense reflections | 0.1633 |
| Weighted residual factors for all reflections included in the refinement | 0.1852 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297748 (current) | 2025-02-15 | cif/ Adding structures of 7249952, 7249953, 7249954 via cif-deposit CGI script. |
7249953.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.