Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7158447
Preview
Coordinates | 7158447.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H17 N O2 S2 Se |
---|---|
Calculated formula | C15 H17 N O2 S2 Se |
Title of publication | Time-economical synthesis of selenofunctionalized heterocycles <i>via</i> I<sub>2</sub>O<sub>5</sub>-mediated selenylative heterocyclization. |
Authors of publication | Zhou, Chen-Fan; Zhang, Yun-Qian; Ling, Yong; Ming, Liang; Xi, Xia; Liu, Gong-Qing; Zhang, Yanan |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2022 |
Journal volume | 20 |
Journal issue | 2 |
Pages of publication | 420 - 426 |
a | 8.0638 ± 0.0005 Å |
b | 8.215 ± 0.0007 Å |
c | 24.112 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1597.3 ± 0.2 Å3 |
Cell temperature | 100.01 ± 0.11 K |
Ambient diffraction temperature | 100.01 ± 0.11 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0588 |
Residual factor for significantly intense reflections | 0.0485 |
Weighted residual factors for significantly intense reflections | 0.0876 |
Weighted residual factors for all reflections included in the refinement | 0.0923 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7158447.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.