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Information card for entry 1574955
Preview
| Coordinates | 1574955.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | [2-(4-Hydroxy-1<i>H</i>-indol-3-yl)ethyl]bis(propan-2-yl)azanium (2<i>E</i>)-3-carboxyprop-2-enoate |
|---|---|
| Formula | C20 H28 N2 O5 |
| Calculated formula | C20 H28 N2 O5 |
| Title of publication | 4-Hydroxy-N,N-diisopropyltryptammonium hydrofumarate |
| Authors of publication | Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. |
| Journal of publication | IUCrData |
| Year of publication | 2025 |
| Journal volume | 10 |
| Journal issue | 6 |
| a | 7.9541 ± 0.0003 Å |
| b | 12.5763 ± 0.0005 Å |
| c | 20.3351 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2034.18 ± 0.13 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300.15 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0453 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0906 |
| Weighted residual factors for all reflections included in the refinement | 0.0945 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300258 (current) | 2025-06-28 | cif/ Adding structures of 1574955 via cif-deposit CGI script. |
1574955.cif |
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