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Information card for entry 2108690
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| Coordinates | 2108690.cif |
|---|---|
| Structure factors | 2108690.hkl |
| Original paper (by DOI) | HTML |
| Common name | abiraterone acetate |
|---|---|
| Chemical name | 17-(pyridin-3-yl)androsta-5,16-dien-3-yl acetate |
| Formula | C26 H33 N O2 |
| Calculated formula | C26 H33 N O2 |
| Title of publication | Charge density analysis of abiraterone acetate |
| Authors of publication | Korlyukov, Alexander A.; Vologzhanina, Anna V.; Trzybinski, Damian; Malinska, Maura; Wozniak, Krzysztof |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 6 |
| a | 7.4313 ± 0.0001 Å |
| b | 9.6383 ± 0.0001 Å |
| c | 29.8978 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2141.43 ± 0.04 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.043 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for all reflections included in the refinement | 0.031 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.58 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259106 (current) | 2020-11-12 | cif/ hkl/ Adding structures of 2108689, 2108690 via cif-deposit CGI script. |
2108690.cif 2108690.hkl |
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