Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1577429
Preview
| Coordinates | 1577429.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,4-Bis(4,5-dihydro-1H-imidazol-2-yl)butane (TFA salt) |
|---|---|
| Formula | C14 H20 F6 N4 O4 |
| Calculated formula | C14 H20 F6 N4 O4 |
| 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 | 4.9915 ± 0.0001 Å |
| b | 13.3535 ± 0.0002 Å |
| c | 13.38 ± 0.0002 Å |
| α | 90° |
| β | 98.951 ± 0.001° |
| γ | 90° |
| Cell volume | 880.97 ± 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0339 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0773 |
| Weighted residual factors for all reflections included in the refinement | 0.0788 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| 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. |
1577429.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.