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Information card for entry 1574869
Preview
| Coordinates | 1574869.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H84 B F26 N4 Na O5 Si2 |
|---|---|
| Calculated formula | C80 H84 B F26 N4 Na O5 Si2 |
| 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 | 12.8653 ± 0.0014 Å |
| b | 12.9386 ± 0.0014 Å |
| c | 14.2525 ± 0.0016 Å |
| α | 76.0784 ± 0.0015° |
| β | 80.3071 ± 0.0016° |
| γ | 65.8644 ± 0.0015° |
| Cell volume | 2094.9 ± 0.4 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0702 |
| Residual factor for significantly intense reflections | 0.0596 |
| Weighted residual factors for significantly intense reflections | 0.1549 |
| Weighted residual factors for all reflections included in the refinement | 0.1649 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| 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. |
1574869.cif |
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Users of the data should acknowledge the original authors of the
structural data.