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Information card for entry 1569086
Preview
| Coordinates | 1569086.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | <i>N</i>-Methylserotonin hydrogen oxalate |
|---|---|
| Chemical name | [2-(5-Hydroxy-1<i>H</i>-indol-3-yl)ethyl](methyl)azanium hydrogen oxalate |
| Formula | C13 H16 N2 O5 |
| Calculated formula | C13 H16 N2 O5 |
| Title of publication | N-Methylserotonin hydrogen oxalate |
| Authors of publication | Naeem, Marilyn; Anas, Nicholas A.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. |
| Journal of publication | IUCrData |
| Year of publication | 2023 |
| Journal volume | 8 |
| Journal issue | 5 |
| a | 5.7044 ± 0.0004 Å |
| b | 9.9485 ± 0.0007 Å |
| c | 11.7687 ± 0.0007 Å |
| α | 90° |
| β | 90.321 ± 0.002° |
| γ | 90° |
| Cell volume | 667.87 ± 0.08 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300.15 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0303 |
| Residual factor for significantly intense reflections | 0.0295 |
| Weighted residual factors for significantly intense reflections | 0.0764 |
| Weighted residual factors for all reflections included in the refinement | 0.0769 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283560 (current) | 2023-05-06 | cif/ Adding structures of 1569086 via cif-deposit CGI script. |
1569086.cif |
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Users of the data should acknowledge the original authors of the
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