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Information card for entry 4131783
Preview
| Coordinates | 4131783.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C39 H63 N3 O Si2 |
|---|---|
| Calculated formula | C39 H63 N3 O Si2 |
| Title of publication | Silicon and Oxygen's Bond of Affection: An Acyclic Three-Coordinate Silanone and Its Transformation to an Iminosiloxysilylene. |
| Authors of publication | Wendel, Daniel; Reiter, Dominik; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi; Rieger, Bernhard |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 47 |
| Pages of publication | 17193 - 17198 |
| a | 34.475 ± 0.003 Å |
| b | 10.6878 ± 0.0009 Å |
| c | 22.191 ± 0.0019 Å |
| α | 90° |
| β | 107.847 ± 0.003° |
| γ | 90° |
| Cell volume | 7783.1 ± 1.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0704 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1006 |
| Weighted residual factors for all reflections included in the refinement | 0.1084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| 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. |
4131783.cif |
| 241935 | 2019-11-25 | cif/ Adding structures of 4131779, 4131780, 4131781, 4131782, 4131783 via cif-deposit CGI script. |
4131783.cif |
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Users of the data should acknowledge the original authors of the
structural data.