Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7249958
Preview
| Coordinates | 7249958.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Venetoclax |
|---|---|
| Formula | C66 H66 Cl N7.5 O13 S3 |
| Calculated formula | C66 H66 Cl N7.5 O13 S3 |
| Title of publication | Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance |
| Authors of publication | Havl°ujová, Tereza; Hriňová, Erika; Zmeškalová, Eliška; Kučeráková, Monika; Ridvan, Luděk; Šoóš, Miroslav |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| Journal volume | 27 |
| Journal issue | 12 |
| Pages of publication | 1816 - 1829 |
| a | 10.8016 ± 0.0001 Å |
| b | 10.8223 ± 0.0001 Å |
| c | 14.0795 ± 0.0001 Å |
| α | 84.7041 ± 0.0009° |
| β | 83.824 ± 0.0009° |
| γ | 76.704 ± 0.001° |
| Cell volume | 1588.57 ± 0.02 Å3 |
| Cell temperature | 95 K |
| Ambient diffraction temperature | 95 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0555 |
| Residual factor for significantly intense reflections | 0.0552 |
| Weighted residual factors for all reflections | 0.1501 |
| Weighted residual factors for significantly intense reflections | 0.1495 |
| Weighted residual factors for all reflections included in the refinement | 0.1501 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0468 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298867 (current) | 2025-04-05 | cif/ Updating files of 7249955, 7249956, 7249957, 7249958, 7249959 Original log message: Adding full bibliography for 7249955--7249959.cif. |
7249958.cif |
| 297757 | 2025-02-16 | cif/ Adding structures of 7249955, 7249956, 7249957, 7249958, 7249959 via cif-deposit CGI script. |
7249958.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.