Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4126188
Preview
Coordinates | 4126188.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H23 N Si |
---|---|
Calculated formula | C27 H23 N Si |
SMILES | Cn1cc(c2ccccc12)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | B(C6F5)3-Catalyzed (Convergent) Disproportionation Reaction of Indoles. |
Authors of publication | Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 21 |
Pages of publication | 7399 - 7407 |
a | 9.845 ± 0.002 Å |
b | 17.109 ± 0.004 Å |
c | 12.769 ± 0.003 Å |
α | 90° |
β | 98.083 ± 0.005° |
γ | 90° |
Cell volume | 2129.4 ± 0.8 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0797 |
Residual factor for significantly intense reflections | 0.059 |
Weighted residual factors for significantly intense reflections | 0.1582 |
Weighted residual factors for all reflections included in the refinement | 0.1735 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
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/4126188.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.