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Information card for entry 1574865
Preview
| Coordinates | 1574865.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H21 F N2 O |
|---|---|
| Calculated formula | C18 H21 F N2 O |
| 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 | 5.2703 ± 0.0003 Å |
| b | 13.9801 ± 0.0009 Å |
| c | 21.4626 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1581.35 ± 0.17 Å3 |
| Cell temperature | 190 ± 2 K |
| Ambient diffraction temperature | 190 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0455 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1179 |
| Weighted residual factors for all reflections included in the refinement | 0.12 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
1574865.cif |
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Users of the data should acknowledge the original authors of the
structural data.