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Information card for entry 1573893
Preview
| Coordinates | 1573893.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H22 N2 O5 S4 |
|---|---|
| Calculated formula | C17 H22 N2 O5 S4 |
| 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 | 8.7466 ± 0.0001 Å |
| b | 11.0403 ± 0.0002 Å |
| c | 22.1225 ± 0.0003 Å |
| α | 90° |
| β | 93.972 ± 0.001° |
| γ | 90° |
| Cell volume | 2131.13 ± 0.05 Å3 |
| Cell temperature | 301.31 ± 0.1 K |
| Ambient diffraction temperature | 301.31 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0414 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.1174 |
| Weighted residual factors for all reflections included in the refinement | 0.1191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1573893.cif |
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Users of the data should acknowledge the original authors of the
structural data.