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Information card for entry 7129313
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| Coordinates | 7129313.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (R)-3-methyl-5-(trimethylsilyl)-2,3-dihydrobenzofuran-3-ol |
|---|---|
| Formula | C12 H18 O2 Si |
| Calculated formula | C12 H18 O2 Si |
| Title of publication | Iridium-Catalyzed Enantioselective Intramolecular Hydroarylation of Allylic Aryl Ethers Devoid of a Directing Group on the Aryl Group |
| Authors of publication | Ohmura, Toshimichi; Kusaka, Satoshi; Suginome, Michinori |
| Journal of publication | Chemical Communications |
| Year of publication | 2021 |
| a | 6.7361 ± 0.0017 Å |
| b | 21.906 ± 0.006 Å |
| c | 26.843 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3961 ± 1.8 Å3 |
| Cell temperature | 143 ± 2 K |
| Ambient diffraction temperature | 143 ± 2 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 | 0.1287 |
| Residual factor for significantly intense reflections | 0.0903 |
| Weighted residual factors for significantly intense reflections | 0.1317 |
| Weighted residual factors for all reflections included in the refinement | 0.1464 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270878 (current) | 2021-11-26 | cif/ Adding structures of 7129313 via cif-deposit CGI script. |
7129313.cif |
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