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Information card for entry 1572205
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| Coordinates | 1572205.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | olanzapine |
|---|---|
| Formula | C17 H20 N4 S |
| Calculated formula | C17 H20 N4 S |
| Title of publication | The crystal structure of olanzapine form III. |
| Authors of publication | Anyfanti, Goulielmina; Husanu, Elena; Andrusenko, Iryna; Marchetti, Danilo; Gemmi, Mauro |
| Journal of publication | IUCrJ |
| Year of publication | 2024 |
| Journal volume | 11 |
| Journal issue | 5 |
| a | 10.708 ± 0.003 Å |
| b | 16.476 ± 0.004 Å |
| c | 10.065 ± 0.004 Å |
| α | 90° |
| β | 110.43 ± 0.02° |
| γ | 90° |
| Cell volume | 1664 ± 0.9 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| 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 | 0.2015 |
| Residual factor for significantly intense reflections | 0.1158 |
| Weighted residual factors for significantly intense reflections | 0.1139 |
| Weighted residual factors for all reflections included in the refinement | 0.1244 |
| Goodness-of-fit parameter for significantly intense reflections | 0 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.23 |
| Diffraction radiation probe | electron |
| Diffraction radiation wavelength | 0.0335 Å |
| Diffraction radiation type | electrons120keV |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293592 (current) | 2024-07-30 | cif/ Adding structures of 1572205 via cif-deposit CGI script. |
1572205.cif |
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Users of the data should acknowledge the original authors of the
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