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Information card for entry 7129525
Preview
| Coordinates | 7129525.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H24 N2 S2 |
|---|---|
| Calculated formula | C24 H24 N2 S2 |
| SMILES | S=C(NCc1ccccc1)Cc1cccc(c1)CC(=S)NCc1ccccc1 |
| Title of publication | Room Temperature Synthesis of Polythioamides from Multicomponent Polymerization of Sulfur, Pyridine-activated Alkyne, and Amines |
| Authors of publication | Zhang, Lihui; Hu, Yang; Hu, Rongrong; Tang, Ben Zhong |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 10.0154 ± 0.0003 Å |
| b | 10.7382 ± 0.0002 Å |
| c | 38.8755 ± 0.001 Å |
| α | 90° |
| β | 95.253 ± 0.003° |
| γ | 90° |
| Cell volume | 4163.4 ± 0.18 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 4 |
| 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 | 0.0868 |
| Residual factor for significantly intense reflections | 0.0799 |
| Weighted residual factors for significantly intense reflections | 0.2233 |
| Weighted residual factors for all reflections included in the refinement | 0.2283 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| 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 |
|---|---|---|---|
| 271973 (current) | 2022-01-11 | cif/ Adding structures of 7129524, 7129525 via cif-deposit CGI script. |
7129525.cif |
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Users of the data should acknowledge the original authors of the
structural data.