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Information card for entry 4117895
Preview
| Coordinates | 4117895.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H24 Si |
|---|---|
| Calculated formula | C26 H24 Si |
| SMILES | [Si@]1(c2c(ccc3ccccc23)c2c1cccc2)(C(C)(C)C)c1ccccc1 |
| Title of publication | Palladium-Catalyzed Asymmetric Synthesis of Silicon-Stereogenic Dibenzosiloles via Enantioselective C-H Bond Functionalization |
| Authors of publication | Shintani, Ryo; Otomo, Haruka; Ota, Kensuke; Hayashi, Tamio |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2012 |
| Journal volume | 134 |
| Journal issue | 17 |
| Pages of publication | 7305 - 7308 |
| a | 11.2001 ± 0.0003 Å |
| b | 7.35727 ± 0.00017 Å |
| c | 24.4176 ± 0.0005 Å |
| α | 90° |
| β | 99.6203 ± 0.0017° |
| γ | 90° |
| Cell volume | 1983.77 ± 0.08 Å3 |
| Cell temperature | 93.1 K |
| Ambient diffraction temperature | 93 ± 1 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for all reflections included in the refinement | 0.0725 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4117895.cif |
| 219259 | 2019-10-10 | cif/4/ Updated bibliographic information in entries 4117895-4117896, 4121808. |
4117895.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4117895.cif |
| 107638 | 2014-03-21 | cif/4 Fixing some wrong formula/Z values |
4117895.cif |
| 75021 | 2013-03-05 | cif/ Adding structures of 4117895 via cif-deposit CGI script. |
4117895.cif |
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Users of the data should acknowledge the original authors of the
structural data.