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Information card for entry 1563645
Preview
| Coordinates | 1563645.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H22 Cl2 O2 Si |
|---|---|
| Calculated formula | C15 H22 Cl2 O2 Si |
| SMILES | [Si]1(OC(CCC(O1)(C)C)(C)C)(C)c1cc(Cl)cc(Cl)c1 |
| Title of publication | Dioxasilepanyl Group as a Versatile Organometallic Unit: Studies in Stability, Reactivity, and Utility |
| Authors of publication | Saito, Hayate; Shimokawa, Jun; Yorimitsu, Hideki |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 8.3456 ± 0.001 Å |
| b | 24.203 ± 0.004 Å |
| c | 8.4795 ± 0.0011 Å |
| α | 90° |
| β | 95.737 ± 0.004° |
| γ | 90° |
| Cell volume | 1704.2 ± 0.4 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0268 |
| Residual factor for significantly intense reflections | 0.0252 |
| Weighted residual factors for significantly intense reflections | 0.0693 |
| Weighted residual factors for all reflections included in the refinement | 0.07 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266623 (current) | 2021-06-23 | cif/ Adding structures of 1563645 via cif-deposit CGI script. |
1563645.cif |
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Users of the data should acknowledge the original authors of the
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