Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4034087
Preview
Coordinates | 4034087.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H13 N S |
---|---|
Calculated formula | C17 H13 N S |
SMILES | s1c(/C(=C/c2ccccc2)c2ccccc2)cnc1 |
Title of publication | Regio- and Stereoselective Synthesis of Thiazole-Containing Triarylethylenes by Hydroarylation of Alkynes. |
Authors of publication | Lee, Woohyeong; Shin, Changhoon; Park, Soo Eun; Joo, Jung Min |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 20 |
Pages of publication | 12913 - 12924 |
a | 9.7128 ± 0.0017 Å |
b | 9.7128 ± 0.0017 Å |
c | 12.1114 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 989.5 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 144 |
Hermann-Mauguin space group symbol | P 31 |
Hall space group symbol | P 31 |
Residual factor for all reflections | 0.0316 |
Residual factor for significantly intense reflections | 0.0291 |
Weighted residual factors for significantly intense reflections | 0.0708 |
Weighted residual factors for all reflections included in the refinement | 0.0727 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/4034087.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.