Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4133684
Preview
| Coordinates | 4133684.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H72 N2 O Si6 |
|---|---|
| Calculated formula | C32 H72 N2 O Si6 |
| Title of publication | Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene. |
| Authors of publication | Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 34 |
| Pages of publication | 13536 - 13546 |
| a | 11.883 ± 0.0019 Å |
| b | 12.9036 ± 0.0019 Å |
| c | 15.496 ± 0.003 Å |
| α | 94.596 ± 0.006° |
| β | 105.116 ± 0.005° |
| γ | 110.563 ± 0.005° |
| Cell volume | 2108.6 ± 0.6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0407 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301835 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure. |
4133684.cif |
| 243418 | 2019-11-26 | cif/ Adding structures of 4133681, 4133682, 4133683, 4133684, 4133685, 4133686, 4133687 via cif-deposit CGI script. |
4133684.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.