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Information card for entry 2243331
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| Coordinates | 2243331.cif |
|---|---|
| Structure factors | 2243331.hkl |
| Original IUCr paper | HTML |
| Common name | 4-Hydroxy-<i>N</i>-methyltryptammonium fumarate |
|---|---|
| Chemical name | Bis{[2-(4-hydroxy-1<i>H</i>-indol-3-yl)ethyl]methylazanium} but-2-enedioate |
| Formula | C13 H16 N2 O3 |
| Calculated formula | C13 H16 N2 O3 |
| 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 | 7.7363 ± 0.001 Å |
| b | 9.7146 ± 0.0012 Å |
| c | 9.7854 ± 0.0013 Å |
| α | 105.524 ± 0.004° |
| β | 110.554 ± 0.004° |
| γ | 97.167 ± 0.004° |
| Cell volume | 643.69 ± 0.15 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297.15 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0619 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.09 |
| Weighted residual factors for all reflections included in the refinement | 0.0983 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249820 (current) | 2020-03-28 | cif/ hkl/ Adding structures of 2243330, 2243331 via cif-deposit CGI script. |
2243331.cif 2243331.hkl |
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Users of the data should acknowledge the original authors of the
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