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Information card for entry 7247905
Preview
| Coordinates | 7247905.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H27 Br F N4 O4 |
|---|---|
| Calculated formula | C24 H27 Br F N4 O4 |
| Title of publication | Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility |
| Authors of publication | Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 3 |
| Pages of publication | 248 - 260 |
| a | 9.789 ± 0.001 Å |
| b | 9.937 ± 0.001 Å |
| c | 12.479 ± 0.001 Å |
| α | 75.4 ± 0.01° |
| β | 82.79 ± 0.01° |
| γ | 75.88 ± 0.03° |
| Cell volume | 1136.5 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0505 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.1404 |
| Weighted residual factors for all reflections included in the refinement | 0.1469 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289455 (current) | 2024-02-04 | cif/ Updating files of 7247904, 7247905, 7247906, 7247907, 7247908, 7247909 Original log message: Adding full bibliography for 7247904--7247909.cif. |
7247905.cif |
| 288514 | 2023-12-23 | cif/ Adding structures of 7247904, 7247905, 7247906, 7247907, 7247908, 7247909 via cif-deposit CGI script. |
7247905.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.