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Information card for entry 7217307
Preview
| Coordinates | 7217307.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Cabazitaxel hemihydrate |
|---|---|
| Formula | C45 H57.5 N O14.25 |
| Calculated formula | C45 H57.5 N O14.25 |
| Title of publication | Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel |
| Authors of publication | Baisch, U.; Vella-Zarb, L. |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 44 |
| Pages of publication | 10161 |
| a | 8.506 ± 0.005 Å |
| b | 45.16 ± 0.02 Å |
| c | 11.675 ± 0.006 Å |
| α | 90° |
| β | 98.362 ± 0.004° |
| γ | 90° |
| Cell volume | 4437 ± 4 Å3 |
| Cell temperature | 120.15 K |
| Ambient diffraction temperature | 120.15 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1349 |
| Residual factor for significantly intense reflections | 0.1002 |
| Weighted residual factors for significantly intense reflections | 0.2622 |
| Weighted residual factors for all reflections included in the refinement | 0.2838 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.6889 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7217307.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7217307.cif |
| 126356 | 2014-11-06 | cif/ Updating files of 7217306, 7217307, 7217308, 7217309, 7217310 Original log message: Adding full bibliography for 7217306--7217310.cif. |
7217307.cif |
| 121094 | 2014-08-02 | cif/ Adding structures of 7217306, 7217307, 7217308, 7217309, 7217310 via cif-deposit CGI script. |
7217307.cif |
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Users of the data should acknowledge the original authors of the
structural data.