Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4084890
Preview
Coordinates | 4084890.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | octakis(1,1-dimethylbutyl)octasilsesquioxane |
---|---|
Formula | C48 H104 O12 Si8 |
Calculated formula | C48 H104 O12 Si8 |
SMILES | O1[Si]2(O[Si]3(O[Si]4(O[Si]1(O[Si]1(O[Si](O2)(O[Si](O[Si](O1)(O4)C(CCC)(C)C)(O3)C(CCC)(C)C)C(CCC)(C)C)C(CCC)(C)C)C(CCC)(C)C)C(CCC)(C)C)C(CCC)(C)C)C(CCC)(C)C |
Title of publication | Silanetriols as Powerful Starting Materials for Selective Condensation to Bulky POSS Cages. |
Authors of publication | Hurkes, Natascha; Bruhn, Clemens; Belaj, Ferdinand; Pietschnig, Rudolf |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 24 |
Pages of publication | 7299 - 7306 |
a | 10.8944 ± 0.0004 Å |
b | 12.6042 ± 0.0004 Å |
c | 13.4936 ± 0.0005 Å |
α | 68.8952 ± 0.0011° |
β | 87.8745 ± 0.0012° |
γ | 66.4831 ± 0.0011° |
Cell volume | 1572.67 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.03 |
Residual factor for significantly intense reflections | 0.0264 |
Weighted residual factors for significantly intense reflections | 0.0742 |
Weighted residual factors for all reflections included in the refinement | 0.0783 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
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/4084890.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.