Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1572942
Preview
| Coordinates | 1572942.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H10 O2 S2 |
|---|---|
| Calculated formula | C11 H10 O2 S2 |
| Title of publication | Monomer centred selectivity guidelines in sulfurated ring-opening copolymerisations |
| Authors of publication | Stühler, Merlin R.; Kreische, Marie; Fornacon-Wood, Christoph; Rupf, Susanne M.; Langer, Robert; Plajer, Alex Johannes |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 8.5111 ± 0.0003 Å |
| b | 11.2673 ± 0.0004 Å |
| c | 12.0154 ± 0.0005 Å |
| α | 90.902 ± 0.002° |
| β | 99.837 ± 0.002° |
| γ | 110.12 ± 0.002° |
| Cell volume | 1062.56 ± 0.07 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0609 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.0812 |
| Weighted residual factors for all reflections included in the refinement | 0.0999 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295609 (current) | 2024-10-25 | cif/ Adding structures of 1572942 via cif-deposit CGI script. |
1572942.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.