Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4079898
Preview
| Coordinates | 4079898.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Me2Si(ONO-SQ) |
|---|---|
| Chemical name | 2,4,8,10-Tetra-tert-butyl-6,6-dimethyl- dibenzo[d,g][1,3,6,2]dioxazasilocine |
| Formula | C30 H46 N O2 Si |
| Calculated formula | C30 H46 N O2 Si |
| SMILES | [Si]12(N(c3c(c(cc(c3)C(C)(C)C)C(C)(C)C)O2)c2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O1)(C)C |
| Title of publication | Migrations of Alkyl and Aryl Groups from Silicon to Nitrogen in Silylated Aryloxyiminoquinones |
| Authors of publication | Shekar, Sukesh; Brown, Seth N. |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 2 |
| Pages of publication | 556 |
| a | 5.9995 ± 0.0003 Å |
| b | 9.4458 ± 0.0004 Å |
| c | 26.4122 ± 0.0011 Å |
| α | 80.198 ± 0.002° |
| β | 84.4337 ± 0.0019° |
| γ | 81.1163 ± 0.0018° |
| Cell volume | 1453.39 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.053 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0923 |
| Weighted residual factors for all reflections included in the refinement | 0.0993 |
| 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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4079898.html
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.