Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1547296
Preview
Coordinates | 1547296.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H16 O2 |
---|---|
Calculated formula | C17 H16 O2 |
SMILES | c1(ccccc1)/C(=C/c1ccc(cc1)C)C(=O)OC |
Title of publication | Stereoselective Synthesis of Z-Vinylsilanes via Palladium-Catalyzed Direct Intermolecular Silylation of C(sp(2))-H Bonds. |
Authors of publication | Pan, Jin-Long; Chen, Chao; Ma, Zhi-Gang; Zhou, Jia; Wang, Li-Ren; Zhang, Shu-Yu |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 19 |
Pages of publication | 5216 - 5219 |
a | 8.0103 ± 0.0002 Å |
b | 6.9176 ± 0.0002 Å |
c | 24.3023 ± 0.0005 Å |
α | 90° |
β | 95.153 ± 0.001° |
γ | 90° |
Cell volume | 1341.2 ± 0.06 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0457 |
Residual factor for significantly intense reflections | 0.0381 |
Weighted residual factors for significantly intense reflections | 0.1287 |
Weighted residual factors for all reflections included in the refinement | 0.1408 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.16 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/1547296.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.