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Information card for entry 7119783
Preview
| Coordinates | 7119783.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H32 O2 Si |
|---|---|
| Calculated formula | C33 H32 O2 Si |
| SMILES | [C@H](C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12)(C)[Si@H](C(C)C)c1ccccc1 |
| Title of publication | Ru(ii)-Pheox-catalyzed Si-H insertion reaction: construction of enantioenriched carbon and silicon centers. |
| Authors of publication | Nakagawa, Yoko; Chanthamath, Soda; Fujisawa, Ikuhide; Shibatomi, Kazutaka; Iwasa, Seiji |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2017 |
| Journal volume | 53 |
| Journal issue | 26 |
| Pages of publication | 3753 - 3756 |
| a | 7.8733 ± 0.0003 Å |
| b | 11.1819 ± 0.0004 Å |
| c | 29.729 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2617.3 ± 0.17 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 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 | 0.0404 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.095 |
| Weighted residual factors for all reflections included in the refinement | 0.0969 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7119783.cif |
| 194962 | 2017-04-05 | cif/ Updating files of 7119782, 7119783 Original log message: Adding full bibliography for 7119782--7119783.cif. |
7119783.cif |
| 194136 | 2017-03-10 | cif/ Adding structures of 7119782, 7119783 via cif-deposit CGI script. |
7119783.cif |
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Users of the data should acknowledge the original authors of the
structural data.