Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7117045
Preview
| Coordinates | 7117045.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H32 Si |
|---|---|
| Calculated formula | C36 H32 Si |
| SMILES | [Si](C1=C(C(c2ccccc12)(c1ccccc1)Cc1ccccc1)c1ccccc1)(C)(C)c1ccccc1 |
| Title of publication | Rhodium-catalysed synthesis of multi-substituted silylindenes from aryl alkynes and hydrosilanes via C-H bond activation |
| Authors of publication | Shunsuke Sueki; Yoichiro Kuninobu |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 7685 |
| a | 14.0394 ± 0.0003 Å |
| b | 10.71244 ± 0.00019 Å |
| c | 18.6534 ± 0.0004 Å |
| α | 90° |
| β | 107.182 ± 0.0007° |
| γ | 90° |
| Cell volume | 2680.2 ± 0.09 Å3 |
| Cell temperature | 98 K |
| Ambient diffraction temperature | 98 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for all reflections included in the refinement | 0.1246 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7117045.cif |
| 180284 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/70. |
7117045.cif |
| 135338 | 2015-04-23 | cif/ Adding structures of 7117045 via cif-deposit CGI script. |
7117045.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.