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Information card for entry 4515186
Preview
| Coordinates | 4515186.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C35 H31 N3 O3 S |
|---|---|
| Calculated formula | C35 H31 N3 O3 S |
| Title of publication | Direct Construction of Acid-Responsive Poly(indolone)s through Multicomponent Tandem Polymerizations |
| Authors of publication | Qi, Chunxuan; Zheng, Chao; Hu, Rongrong; Tang, Ben Zhong |
| Journal of publication | ACS Macro Letters |
| Year of publication | 2019 |
| Pages of publication | 569 |
| a | 10.38019 ± 0.00019 Å |
| b | 11.413 ± 0.0003 Å |
| c | 13.929 ± 0.0003 Å |
| α | 99.466 ± 0.002° |
| β | 111.743 ± 0.002° |
| γ | 99.2606 ± 0.0019° |
| Cell volume | 1466.89 ± 0.06 Å3 |
| Cell temperature | 149.99 ± 0.1 K |
| Ambient diffraction temperature | 149.99 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0386 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| 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 |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4515186.cif |
| 220288 | 2019-10-28 | cif/ Adding structures of 4515186 via cif-deposit CGI script. |
4515186.cif |
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Users of the data should acknowledge the original authors of the
structural data.