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Information card for entry 1543989
Preview
| Coordinates | 1543989.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C37 H33 N O3 S |
|---|---|
| Calculated formula | C37 H33 N O3 S |
| SMILES | S(=O)(=O)(/N=C(OCC)\Cc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)c1ccc(C)cc1 |
| Title of publication | Multicomponent polymerization: development of a one-pot synthetic route to functional polymers using diyne, N-sulfonyl azide and water/ethanol as reactants |
| Authors of publication | Deng, Haiqin; Han, Ting; Zhao, Engui; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong |
| Journal of publication | Polym. Chem. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 36 |
| Pages of publication | 5646 |
| a | 17.4283 ± 0.0006 Å |
| b | 9.6165 ± 0.0002 Å |
| c | 19.5792 ± 0.0007 Å |
| α | 90° |
| β | 115.005 ± 0.004° |
| γ | 90° |
| Cell volume | 2973.89 ± 0.19 Å3 |
| Cell temperature | 99.9 ± 0.6 K |
| Ambient diffraction temperature | 99.9 ± 0.6 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0593 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.1103 |
| Weighted residual factors for all reflections included in the refinement | 0.1195 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| 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 |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1543989.cif |
| 187204 | 2016-10-08 | cif/ Updating files of 1543988, 1543989 Original log message: Adding full bibliography for 1543988--1543989.cif. |
1543989.cif |
| 186059 | 2016-08-27 | cif/ Adding structures of 1543988, 1543989 via cif-deposit CGI script. |
1543989.cif |
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Users of the data should acknowledge the original authors of the
structural data.