Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4131651
Preview
Coordinates | 4131651.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H36 O Si |
---|---|
Calculated formula | C30 H36 O Si |
SMILES | [Si]1(C=C(Oc2c(cccc2C(C)C)C(C)C)c2ccccc12)(C(C)(C)C)c1ccccc1 |
Title of publication | Synthesis of Benzosiloles by Intramolecular anti-Hydroarylation via ortho-C-H Activation of Aryloxyethynyl Silanes. |
Authors of publication | Minami, Yasunori; Noguchi, Yuta; Hiyama, Tamejiro |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 40 |
Pages of publication | 14013 - 14016 |
a | 12.318 ± 0.002 Å |
b | 17.125 ± 0.004 Å |
c | 25.001 ± 0.005 Å |
α | 90° |
β | 93.745 ± 0.004° |
γ | 90° |
Cell volume | 5262.6 ± 1.8 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1247 |
Residual factor for significantly intense reflections | 0.0986 |
Weighted residual factors for significantly intense reflections | 0.2185 |
Weighted residual factors for all reflections included in the refinement | 0.2367 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.18 |
Diffraction radiation wavelength | 0.71075 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/4131651.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.