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Information card for entry 1556888
Preview
| Coordinates | 1556888.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H14 F4 N2 O4 S |
|---|---|
| Calculated formula | C18 H14 F4 N2 O4 S |
| Title of publication | Charge density view on bicalutamide molecular interactions in the monoclinic polymorph and androgen receptor binding pocket |
| Authors of publication | Korlyukov, Alexander A.; Malinska, Maura; Vologzhanina, Anna V.; Goizman, Mikhail S.; Trzybinski, Damian; Wozniak, Krzysztof |
| Journal of publication | IUCrJ |
| Year of publication | 2020 |
| Journal volume | 7 |
| Journal issue | 1 |
| Pages of publication | 71 - 82 |
| a | 14.8945 ± 0.0001 Å |
| b | 12.1188 ± 0.0001 Å |
| c | 10.2846 ± 0.0001 Å |
| α | 90° |
| β | 105.825 ± 0.001° |
| γ | 90° |
| Cell volume | 1786.05 ± 0.03 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.033 |
| Residual factor for significantly intense reflections | 0.02 |
| Weighted residual factors for all reflections included in the refinement | 0.02 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246420 (current) | 2020-01-01 | cif/ Adding structures of 1556888 via cif-deposit CGI script. |
1556888.cif |
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Users of the data should acknowledge the original authors of the
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