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Information card for entry 1507750
Preview
| Coordinates | 1507750.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H24 O5 Si |
|---|---|
| Calculated formula | C17 H24 O5 Si |
| SMILES | [Si@@]1(CCC[C@@H](C(=O)OC)[C@H]1C(=O)OC)(c1ccc(OC)cc1)C |
| Title of publication | Palladium-Catalyzed Desymmetrization of Silacyclobutanes with Alkynes: Enantioselective Synthesis of Silicon-Stereogenic 1-Sila-2-cyclohexenes and Mechanistic Considerations. |
| Authors of publication | Shintani, Ryo; Moriya, Kohei; Hayashi, Tamio |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 11 |
| Pages of publication | 2902 - 2905 |
| a | 6.33447 ± 0.00014 Å |
| b | 8.09469 ± 0.00016 Å |
| c | 34.4211 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1764.96 ± 0.06 Å3 |
| Cell temperature | 93.1 K |
| Ambient diffraction temperature | 93 ± 1 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 significantly intense reflections | 0.0428 |
| Weighted residual factors for all reflections included in the refinement | 0.1086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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