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Information card for entry 2244237
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| Coordinates | 2244237.cif |
|---|---|
| Structure factors | 2244237.hkl |
| Original IUCr paper | HTML |
| Common name | 4-Benzyloxy-<i>N</i>-isopropyltryptammonium chloride |
|---|---|
| Chemical name | {2-[4-(Benzyloxy)-1<i>H</i>-indol-3-yl]ethyl}(propan-2-yl)azanium chloride |
| Formula | C20 H25 Cl N2 O |
| Calculated formula | C20 H25 Cl N2 O |
| Title of publication | Synthesis and structure of 4-hy-droxy-<i>N</i>-iso-propyl-tryptamine (4-HO-NiPT) and its precursors. |
| Authors of publication | Laban, Uroš; Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 4 |
| Pages of publication | 280 - 286 |
| a | 10.1895 ± 0.0009 Å |
| b | 10.9117 ± 0.0007 Å |
| c | 17.6887 ± 0.0014 Å |
| α | 86.798 ± 0.003° |
| β | 79.34 ± 0.003° |
| γ | 87.587 ± 0.003° |
| Cell volume | 1928.7 ± 0.3 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0584 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.1 |
| Weighted residual factors for all reflections included in the refinement | 0.1133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283594 (current) | 2023-05-06 | cif/ Updating files of 2244235, 2244236, 2244237, 2244238 Original log message: Adding full bibliography for 2244235--2244238.cif. |
2244237.cif 2244237.hkl |
| 281866 | 2023-03-14 | cif/ hkl/ Adding structures of 2244235, 2244236, 2244237, 2244238 via cif-deposit CGI script. |
2244237.cif 2244237.hkl |
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Users of the data should acknowledge the original authors of the
structural data.