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Information card for entry 1577431
Preview
| Coordinates | 1577431.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2,5,6,7-Tetrahydro-3H-pyrrolo[1,2-a]imidazole (TsOH salt) |
|---|---|
| Formula | C13 H18 N2 O3 S |
| Calculated formula | C13 H18 N2 O3 S |
| Title of publication | Direct access to 2-imidazolines from unactivated alkenes |
| Authors of publication | Schiele, Stefanie; Paschke, Ann-Sophie K.; Romiti, Giorgia; Morandi, Bill |
| Journal of publication | Chemical Science |
| Year of publication | 2026 |
| a | 7.7318 ± 0.0001 Å |
| b | 20.8161 ± 0.0002 Å |
| c | 8.6237 ± 0.0001 Å |
| α | 90° |
| β | 107.755 ± 0.001° |
| γ | 90° |
| Cell volume | 1321.84 ± 0.03 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| 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 | 0.0323 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.0827 |
| Weighted residual factors for all reflections included in the refinement | 0.0841 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306639 (current) | 2026-06-25 | cif/ Adding structures of 1577429, 1577430, 1577431 via cif-deposit CGI script. |
1577431.cif |
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Users of the data should acknowledge the original authors of the
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