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Information card for entry 2243330
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| Coordinates | 2243330.cif |
|---|---|
| Structure factors | 2243330.hkl |
| Original IUCr paper | HTML |
| Common name | 4-Hydroxy-<i>N</i>-methyltryptamine |
|---|---|
| Chemical name | 3-[2-(Methylamino)ethyl]-1<i>H</i>-indol-4-ol |
| Formula | C11 H14 N2 O |
| Calculated formula | C11 H14 N2 O |
| Title of publication | Norpsilocin: freebase and fumarate salt |
| Authors of publication | Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 4 |
| Pages of publication | 589 - 593 |
| a | 9.406 ± 0.0016 Å |
| b | 8.8436 ± 0.0015 Å |
| c | 12.144 ± 0.002 Å |
| α | 90° |
| β | 100.601 ± 0.007° |
| γ | 90° |
| Cell volume | 992.9 ± 0.3 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297.15 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 | 0.0448 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0958 |
| Weighted residual factors for all reflections included in the refinement | 0.1048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249820 (current) | 2020-03-28 | cif/ hkl/ Adding structures of 2243330, 2243331 via cif-deposit CGI script. |
2243330.cif 2243330.hkl |
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Users of the data should acknowledge the original authors of the
structural data.