Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7248284
Preview
| Coordinates | 7248284.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H12 N2 O2 |
|---|---|
| Calculated formula | C15 H12 N2 O2 |
| SMILES | O=c1[nH]c(nc2c1cccc2)c1ccc(OC)cc1 |
| Title of publication | Biomass derived Cu2O nanoparticles for N-atom insertion reactions: a base-free synthesis of quinazolinones with a green approach |
| Authors of publication | R., Thrilokraj; Małecki, Jan Grzegorz; Budagumpi, Srinivasa; Kshirsagar, Umesh A.; Dateer, Ramesh B. |
| Journal of publication | Green Chemistry |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 8 |
| Pages of publication | 4723 - 4732 |
| a | 10.476 ± 0.0008 Å |
| b | 5.0246 ± 0.0005 Å |
| c | 22.8902 ± 0.0016 Å |
| α | 90° |
| β | 97.761 ± 0.007° |
| γ | 90° |
| Cell volume | 1193.85 ± 0.17 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 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 | 0.0839 |
| Residual factor for significantly intense reflections | 0.0538 |
| Weighted residual factors for significantly intense reflections | 0.1291 |
| Weighted residual factors for all reflections included in the refinement | 0.1467 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291658 (current) | 2024-05-05 | cif/ Updating files of 7248284 Original log message: Adding full bibliography for 7248284.cif. |
7248284.cif |
| 290366 | 2024-03-07 | cif/ Adding structures of 7248284 via cif-deposit CGI script. |
7248284.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.