Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8105545
Preview
| Coordinates | 8105545.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H19 Br N2 O |
|---|---|
| Calculated formula | C22 H19 Br N2 O |
| SMILES | Brc1ccc2N(c3c(C(=O)c2c1)cc(cc3)c1ccc(N(C)C)cc1)C |
| Title of publication | Crystal structure of 2-bromo-7-(4-(dimethylamino)phenyl)-10-methylacridin-9 (10H)-one, C22H19BrN2O |
| Authors of publication | Songhua, Chen; Jien, Yang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 234 |
| Journal issue | 1 |
| Pages of publication | 71 - 72 |
| a | 8.0338 ± 0.0016 Å |
| b | 9.0803 ± 0.0018 Å |
| c | 24.281 ± 0.005 Å |
| α | 90° |
| β | 95.78 ± 0.03° |
| γ | 90° |
| Cell volume | 1762.3 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1124 |
| Residual factor for significantly intense reflections | 0.0871 |
| Weighted residual factors for significantly intense reflections | 0.1507 |
| Weighted residual factors for all reflections included in the refinement | 0.1595 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.239 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276313 (current) | 2022-06-28 | cif/ Adding structures of 8105545 via cif-deposit CGI script. |
8105545.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.