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Information card for entry 7246788
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| Coordinates | 7246788.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Nilutamide Hydrate (1:0.57) |
|---|---|
| Formula | C12 H10.57 F3 N3 O4.29 |
| Calculated formula | C12 H10.57 F3 N3 O4.285 |
| Title of publication | Polymorphs, cocrystal and hydrate of nilutamide |
| Authors of publication | Prashanth, Jupally; Surov, Artem O.; Drozd, Ksenia V.; Perlovich, German L.; Balasubramanian, Sridhar |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 24 |
| Pages of publication | 3501 - 3513 |
| a | 10.2797 ± 0.001 Å |
| b | 11.1802 ± 0.0011 Å |
| c | 13.2382 ± 0.0013 Å |
| α | 86.915 ± 0.003° |
| β | 73.762 ± 0.003° |
| γ | 68.854 ± 0.003° |
| Cell volume | 1360.5 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0667 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0902 |
| Weighted residual factors for all reflections included in the refinement | 0.1021 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284913 (current) | 2023-07-05 | cif/ Updating files of 7246786, 7246787, 7246788, 7246789 Original log message: Adding full bibliography for 7246786--7246789.cif. |
7246788.cif |
| 283790 | 2023-05-16 | cif/ Adding structures of 7246786, 7246787, 7246788, 7246789 via cif-deposit CGI script. |
7246788.cif |
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Users of the data should acknowledge the original authors of the
structural data.