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Information card for entry 3500144
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| Coordinates | 3500144.cif |
|---|---|
| Structure factors | 3500144.hkl |
| Common name | Osimertinib Mesylate Form B |
|---|---|
| Chemical name | N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy -5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop -2-enamide methanesulfonate |
| Formula | C29 H37 N7 O5 S |
| Calculated formula | C29 H37 N7 O5 S |
| Title of publication | Osimertinib Mesylate Form B at 150 K |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2025 |
| a | 11.3592 ± 0.0005 Å |
| b | 11.591 ± 0.0005 Å |
| c | 13.1152 ± 0.0005 Å |
| α | 69.843 ± 0.002° |
| β | 75.895 ± 0.003° |
| γ | 67.235 ± 0.003° |
| Cell volume | 1482.57 ± 0.11 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0587 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1174 |
| Weighted residual factors for all reflections included in the refinement | 0.126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303249 (current) | 2025-11-11 | cif/ hkl/ Adding structures of 3500144 via cif-deposit CGI script. |
3500144.cif 3500144.hkl |
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Users of the data should acknowledge the original authors of the
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