Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7156945
Preview
Coordinates | 7156945.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H19 F3 N2 O2 S2 |
---|---|
Calculated formula | C19 H19 F3 N2 O2 S2 |
Title of publication | Cu(i) catalysed annulation of isothiocyanates/isocyanates with 2-iodo-sulfonamides: synthesis of benzodithiazines, benzothiadiazinones, benzothiazinylidene-anilines and benzothiazolylidene-anilines. |
Authors of publication | Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2019 |
Journal volume | 17 |
Journal issue | 28 |
Pages of publication | 6880 - 6894 |
a | 14.5408 ± 0.0007 Å |
b | 10.038 ± 0.0005 Å |
c | 14.7642 ± 0.0007 Å |
α | 90° |
β | 112.918 ± 0.002° |
γ | 90° |
Cell volume | 1984.88 ± 0.17 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
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 | 0.04 |
Residual factor for significantly intense reflections | 0.0364 |
Weighted residual factors for significantly intense reflections | 0.1005 |
Weighted residual factors for all reflections included in the refinement | 0.1046 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
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/7156945.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.