Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7226070
Preview
| Coordinates | 7226070.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H15 N O S |
|---|---|
| Calculated formula | C10 H15 N O S |
| Title of publication | Thionation reactions of 2-pyrrole carboxylates |
| Authors of publication | Groves, Brandon R.; Smithen, Deborah A.; Cameron, T. Stanley; Thompson, Alison |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 74 |
| Pages of publication | 69691 |
| a | 7.215 ± 0.002 Å |
| b | 8.581 ± 0.003 Å |
| c | 9.903 ± 0.002 Å |
| α | 103.094 ± 0.009° |
| β | 93.329 ± 0.0016° |
| γ | 112.892 ± 0.009° |
| Cell volume | 542.8 ± 0.3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for all reflections included in the refinement | 0.0404 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184706 (current) | 2016-07-28 | cif/ Adding structures of 7226069, 7226070, 7226071 via cif-deposit CGI script. |
7226070.cif |
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.