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Information card for entry 7246321
Preview
| Coordinates | 7246321.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H22 N4 O4 S2 |
|---|---|
| Calculated formula | C31 H22 N4 O4 S2 |
| SMILES | s1c2c(nc1c1cc(OC)ccc1Oc1cc(OC)c(n3nccc3)c(c1O)c1sc3c(n1)cccc3)cccc2 |
| Title of publication | Consecutive cross-dehydrogenative C–O and C–N construction for the synthesis of polyarene with AIE properties under electrochemical condition involving oxygen radical species |
| Authors of publication | Zhang, Zhicheng; Wen, Linzi; Xu, Shihai; Tang, Yu; Cao, Xiaohui; Feng, Pengju |
| Journal of publication | Green Chemistry |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 6 |
| Pages of publication | 2287 - 2292 |
| a | 10.3322 ± 0.0002 Å |
| b | 10.7423 ± 0.0002 Å |
| c | 14.3583 ± 0.0002 Å |
| α | 97.245 ± 0.002° |
| β | 100.734 ± 0.002° |
| γ | 116.704 ± 0.002° |
| Cell volume | 1358.21 ± 0.05 Å3 |
| Cell temperature | 298.06 ± 0.1 K |
| Ambient diffraction temperature | 298.06 ± 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 | 0.0763 |
| Residual factor for significantly intense reflections | 0.0683 |
| Weighted residual factors for significantly intense reflections | 0.1977 |
| Weighted residual factors for all reflections included in the refinement | 0.2069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| 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 |
|---|---|---|---|
| 297561 (current) | 2025-02-01 | cif/7 Fixing Z values and formulae |
7246321.cif |
| 283366 | 2023-05-05 | cif/ Updating files of 7246321 Original log message: Adding full bibliography for 7246321.cif. |
7246321.cif |
| 281089 | 2023-02-22 | cif/ Adding structures of 7246321 via cif-deposit CGI script. |
7246321.cif |
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Users of the data should acknowledge the original authors of the
structural data.