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Information card for entry 2022828
Preview
| Coordinates | 2022828.cif |
|---|---|
| Structure factors | 2022828.hkl |
| Original paper (by DOI) | HTML |
| Common name | <i>N</i>-Cyclohexyltryptammonium fumarate |
|---|---|
| Chemical name | Bis{<i>N</i>-[2-(1<i>H</i>-indol-3-yl)ethyl]cyclohexanaminium} (2<i>E</i>)-but-2-enedioate |
| Formula | C18 H24 N2 O2 |
| Calculated formula | C18 H24 N2 O2 |
| Title of publication | N-Cyclohexyltryptamine: freebase, bromide and fumarate |
| Authors of publication | Naeem, Marilyn; Le, Alexander N.; Bauer, Barbara E.; 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 | 8 |
| Pages of publication | 752 - 756 |
| a | 9.2231 ± 0.001 Å |
| b | 16.1611 ± 0.0016 Å |
| c | 11.4595 ± 0.0012 Å |
| α | 90° |
| β | 99.865 ± 0.004° |
| γ | 90° |
| Cell volume | 1682.8 ± 0.3 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297.15 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0546 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.1112 |
| Weighted residual factors for all reflections included in the refinement | 0.1214 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285384 (current) | 2023-07-29 | cif/ hkl/ Adding structures of 2022826, 2022827, 2022828 via cif-deposit CGI script. |
2022828.cif 2022828.hkl |
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Users of the data should acknowledge the original authors of the
structural data.