Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1573892
Preview
| Coordinates | 1573892.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H16 N2 S |
|---|---|
| Calculated formula | C15 H16 N2 S |
| Title of publication | Base-free Multicomponent Polymerization of Elemental Sulfur, Difluoromethylene Phosphobetaine and Amines Toward Electron-Deficient Aromatic Polythioureas |
| Authors of publication | Yu, Yongjiang; Chen, Wang; Hu, Rongrong; Tang, Ben Zhong |
| Journal of publication | Polymer Chemistry |
| Year of publication | 2024 |
| a | 11.6219 ± 0.0002 Å |
| b | 13.9013 ± 0.0002 Å |
| c | 8.4102 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1358.75 ± 0.04 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0352 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0927 |
| Weighted residual factors for all reflections included in the refinement | 0.0937 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297716 (current) | 2025-02-13 | cif/ Adding structures of 1573892, 1573893, 1573894, 1573895, 1573896, 1573897 via cif-deposit CGI script. |
1573892.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.