Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7120879
Preview
| Coordinates | 7120879.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H24 O Si |
|---|---|
| Calculated formula | C33 H24 O Si |
| SMILES | C1(=O)C(=C(c2c1cccc2)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 |
| Title of publication | Rhodium-Catalyzed Carbonylative Synthesis of Silyl-Substituted Indenones |
| Authors of publication | Wu, Xiao-Feng; Zhu, Fengxiang; Spannenberg, Anke |
| Journal of publication | Chemical Communications |
| Year of publication | 2017 |
| a | 7.8675 ± 0.0003 Å |
| b | 10.1106 ± 0.0004 Å |
| c | 15.6264 ± 0.0006 Å |
| α | 86.5614 ± 0.0006° |
| β | 85.1575 ± 0.0006° |
| γ | 79.756 ± 0.0006° |
| Cell volume | 1217.54 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0399 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.0964 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203312 (current) | 2017-11-18 | cif/ Adding structures of 7120879 via cif-deposit CGI script. |
7120879.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.