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Information card for entry 2023126
Preview
| Coordinates | 2023126.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C12 H16 N2 O |
|---|---|
| Calculated formula | C12 H16 N2 O |
| Title of publication | Structural characterization and comparative analysis of polymorphic forms of psilocin (4-hydroxy-N,N-dimethyltryptamine) |
| Authors of publication | Zeller, Matthias; Parent, Stephan; Schultheiss, Nate |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 6 |
| a | 10.6228 ± 0.0005 Å |
| b | 8.4984 ± 0.0004 Å |
| c | 12.5073 ± 0.0005 Å |
| α | 90° |
| β | 90.807 ± 0.002° |
| γ | 90° |
| Cell volume | 1129.01 ± 0.09 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 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 | 0.0971 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1459 |
| Weighted residual factors for all reflections included in the refinement | 0.1715 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291856 (current) | 2024-05-15 | cif/ Adding structures of 2023124, 2023125, 2023126 via cif-deposit CGI script. |
2023126.cif |
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Users of the data should acknowledge the original authors of the
structural data.