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Information card for entry 2244048
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| Coordinates | 2244048.cif |
|---|---|
| Structure factors | 2244048.hkl |
| Original IUCr paper | HTML |
| Common name | Serotonin or 5-hydroxytryptamine (5-HT) |
|---|---|
| Chemical name | 3-(2-Aminoethyl)-1<i>H</i>-indol-5-ol |
| Formula | C10 H12 N2 O |
| Calculated formula | C10 H12 N2 O |
| SMILES | Oc1ccc2[nH]cc(c2c1)CCN |
| Title of publication | Crystal structure of serotonin |
| Authors of publication | Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 4 |
| a | 8.2248 ± 0.0006 Å |
| b | 8.7542 ± 0.0006 Å |
| c | 13.0712 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 941.15 ± 0.12 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297.15 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 | 0.0364 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.0696 |
| Weighted residual factors for all reflections included in the refinement | 0.0728 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273637 (current) | 2022-03-11 | cif/ hkl/ Adding structures of 2244048 via cif-deposit CGI script. |
2244048.cif 2244048.hkl |
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