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Information card for entry 4518971
Preview
| Coordinates | 4518971.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H28 O Si2 |
|---|---|
| Calculated formula | C21 H28 O Si2 |
| Title of publication | Synthesis of Silicon-Stereogenic Silanols Involving Iridium-Catalyzed Enantioselective C‒H Silylation Leading to a New Ligand Scaffold |
| Authors of publication | Zhang, Hongpeng; Zhao, Dongbing |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 10748 - 10753 |
| a | 8.5446 ± 0.0003 Å |
| b | 10.3457 ± 0.0003 Å |
| c | 22.8129 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2016.66 ± 0.11 Å3 |
| Cell temperature | 113.15 K |
| Ambient diffraction temperature | 113.15 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 | 0.041 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0857 |
| Weighted residual factors for all reflections included in the refinement | 0.0894 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268403 (current) | 2021-09-03 | cif/ Adding structures of 4518971 via cif-deposit CGI script. |
4518971.cif |
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Users of the data should acknowledge the original authors of the
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