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Information card for entry 1546987
Preview
| Coordinates | 1546987.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C39 H33 N2 O2 P S |
|---|---|
| Calculated formula | C39 H33 N2 O2 P S |
| SMILES | P(=C(c1ccccc1)/C(=N/S(=O)(=O)c1ccc(cc1)C)Nc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Room Temperature Multicomponent Polymerizations of Alkynes, Sulfonyl Azides, and Iminophosphorane toward Heteroatom-Rich Multifunctional Poly(phosphorus amidine)s |
| Authors of publication | Xu, Liguo; Hu, Rongrong; Tang, Ben Zhong |
| Journal of publication | Macromolecules |
| Year of publication | 2017 |
| Journal volume | 50 |
| Journal issue | 16 |
| Pages of publication | 6043 |
| a | 10.9011 ± 0.0007 Å |
| b | 12.3189 ± 0.001 Å |
| c | 13.9641 ± 0.001 Å |
| α | 104.914 ± 0.007° |
| β | 97.452 ± 0.006° |
| γ | 113.494 ± 0.007° |
| Cell volume | 1603.7 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0786 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1184 |
| Weighted residual factors for all reflections included in the refinement | 0.1394 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1546987.cif |
| 200484 | 2017-09-12 | cif/ Adding structures of 1546987 via cif-deposit CGI script. |
1546987.cif |
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Users of the data should acknowledge the original authors of the
structural data.