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Information card for entry 7129524
Preview
| Coordinates | 7129524.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H23 N3 S2 |
|---|---|
| Calculated formula | C23 H23 N3 S2 |
| SMILES | S=C(NCc1ccccc1)Cc1nc(CC(=S)NCc2ccccc2)ccc1 |
| 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 | 8.0848 ± 0.0002 Å |
| b | 8.7049 ± 0.0002 Å |
| c | 16.185 ± 0.0004 Å |
| α | 75.398 ± 0.002° |
| β | 78.016 ± 0.002° |
| γ | 68.556 ± 0.003° |
| Cell volume | 1017.5 ± 0.05 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 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 | 0.0345 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.0813 |
| Weighted residual factors for all reflections included in the refinement | 0.083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| 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. |
7129524.cif |
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Users of the data should acknowledge the original authors of the
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