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Information card for entry 4131651
Preview
| Coordinates | 4131651.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H36 O Si |
|---|---|
| Calculated formula | C30 H36 O Si |
| SMILES | [Si]1(C=C(Oc2c(cccc2C(C)C)C(C)C)c2ccccc12)(C(C)(C)C)c1ccccc1 |
| Title of publication | Synthesis of Benzosiloles by Intramolecular anti-Hydroarylation via ortho-C-H Activation of Aryloxyethynyl Silanes. |
| Authors of publication | Minami, Yasunori; Noguchi, Yuta; Hiyama, Tamejiro |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 40 |
| Pages of publication | 14013 - 14016 |
| a | 12.318 ± 0.002 Å |
| b | 17.125 ± 0.004 Å |
| c | 25.001 ± 0.005 Å |
| α | 90° |
| β | 93.745 ± 0.004° |
| γ | 90° |
| Cell volume | 5262.6 ± 1.8 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1247 |
| Residual factor for significantly intense reflections | 0.0986 |
| Weighted residual factors for significantly intense reflections | 0.2185 |
| Weighted residual factors for all reflections included in the refinement | 0.2367 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.18 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241825 (current) | 2019-11-25 | cif/ Adding structures of 4131651 via cif-deposit CGI script. |
4131651.cif |
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Users of the data should acknowledge the original authors of the
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