Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1553528
Preview
| Coordinates | 1553528.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H32 O2 Si |
|---|---|
| Calculated formula | C22 H32 O2 Si |
| SMILES | C1(=C(C#C[Si](C(C)C)(C(C)C)C(C)C)c2ccc(C)cc2)OCCO1 |
| Title of publication | Rh(i)-Catalyzed coupling of 2-bromoethyl aryldiazoacetates with tertiary propargyl alcohols through carbene migratory insertion |
| Authors of publication | Liu, Zhen; Xia, Ying; Feng, Sheng; Zhang, Yan; Wang, Jianbo |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 12 |
| Pages of publication | 1691 |
| a | 12.7034 ± 0.0011 Å |
| b | 11.6077 ± 0.001 Å |
| c | 28.683 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4229.5 ± 0.9 Å3 |
| Cell temperature | 102.1 K |
| Ambient diffraction temperature | 102.1 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1939 |
| Residual factor for significantly intense reflections | 0.1532 |
| Weighted residual factors for significantly intense reflections | 0.3787 |
| Weighted residual factors for all reflections included in the refinement | 0.4104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235099 (current) | 2019-11-23 | cif/ Adding structures of 1553528 via cif-deposit CGI script. |
1553528.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.