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Information card for entry 4514611
Preview
| Coordinates | 4514611.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H33 B O4 Si |
|---|---|
| Calculated formula | C29 H33 B O4 Si |
| SMILES | [SiH]([C@H]1[C@](C1)(C(=O)OC)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)(c1ccccc1)c1ccccc1 |
| Title of publication | Enantioselective Rhodium-Catalyzed Desymmetric Hydrosilylation of Cyclopropenes |
| Authors of publication | Zhao, Zhi-Yuan; Nie, Yi-Xue; Tang, Ren-He; Yin, Guan-Wu; Cao, Jian; Xu, Zheng; Cui, Yu-Ming; Zheng, Zhan-Jiang; Xu, Li-Wen |
| Journal of publication | ACS Catalysis |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 10 |
| Pages of publication | 9110 |
| a | 6.264 ± 0.002 Å |
| b | 9.621 ± 0.004 Å |
| c | 11.639 ± 0.004 Å |
| α | 91.385 ± 0.006° |
| β | 96.47 ± 0.006° |
| γ | 100.453 ± 0.006° |
| Cell volume | 684.7 ± 0.4 Å3 |
| Cell temperature | 150.15 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0716 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.1388 |
| Weighted residual factors for all reflections included in the refinement | 0.1493 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4514611.cif |
| 219796 | 2019-10-28 | cif/ Adding structures of 4514611 via cif-deposit CGI script. |
4514611.cif |
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Users of the data should acknowledge the original authors of the
structural data.