Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1574866
Preview
| Coordinates | 1574866.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H19 F N2 |
|---|---|
| Calculated formula | C18 H19 F N2 |
| Title of publication | Multifunctional Chiral Silanol Ligands for Enantioselective Catalysis |
| Authors of publication | Chang, Yun-Pu; Blanco Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 11.6012 ± 0.0002 Å |
| b | 14.6138 ± 0.0003 Å |
| c | 17.9894 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3049.88 ± 0.1 Å3 |
| Cell temperature | 190 ± 2 K |
| Ambient diffraction temperature | 190 ± 2 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 | 0.0358 |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for significantly intense reflections | 0.0772 |
| Weighted residual factors for all reflections included in the refinement | 0.0798 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300071 (current) | 2025-06-14 | cif/ Adding structures of 1574864, 1574865, 1574866, 1574867, 1574868, 1574869 via cif-deposit CGI script. |
1574866.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.