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Information card for entry 1570898
Preview
| Coordinates | 1570898.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H30 N3 O6.5 S |
|---|---|
| Calculated formula | C19 H30 N3 O6.5 S |
| Title of publication | Sumatriptan Succinate Hemi(Ethanol Solvate) |
| Authors of publication | Buikin, Petr A.; Vologzhanina, Anna V.; Korlyukov, Alexander A. |
| Journal of publication | Molbank |
| Year of publication | 2024 |
| Journal volume | 2024 |
| Journal issue | 1 |
| Pages of publication | M1766 |
| a | 9.834 ± 0.009 Å |
| b | 12.609 ± 0.01 Å |
| c | 16.946 ± 0.016 Å |
| α | 90° |
| β | 90.94 ± 0.03° |
| γ | 90° |
| Cell volume | 2101 ± 3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0561 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1134 |
| Weighted residual factors for all reflections included in the refinement | 0.1188 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289656 (current) | 2024-02-05 | cif/ Adding structures of 1570898 via cif-deposit CGI script. |
1570898.cif |
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Users of the data should acknowledge the original authors of the
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