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Information card for entry 1556704
Preview
| Coordinates | 1556704.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 N4 O8 S3 |
|---|---|
| Calculated formula | C37 N4 O8 S3 |
| Title of publication | Trisulfur radical anion-triggered stitching thienannulation: rapid access to largely π-extended thienoacenes |
| Authors of publication | Su, Feng; Chen, Shuqi; Mo, Xiaogang; Wu, Kongchuan; Wu, Jiajun; Lin, Weidong; Lin, Zhiwei; Lin, Jianbin; Zhang, Hui-Jun; Wen, Ting-Bin |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 6 |
| Pages of publication | 1503 - 1509 |
| a | 22.0328 ± 0.001 Å |
| b | 21.2168 ± 0.0007 Å |
| c | 33.589 ± 0.003 Å |
| α | 90° |
| β | 102.198 ± 0.005° |
| γ | 90° |
| Cell volume | 15347.2 ± 1.6 Å3 |
| Cell temperature | 100 ± 0.11 K |
| Ambient diffraction temperature | 100 ± 0.11 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.2265 |
| Residual factor for significantly intense reflections | 0.1541 |
| Weighted residual factors for significantly intense reflections | 0.3571 |
| Weighted residual factors for all reflections included in the refinement | 0.407 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| 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 |
|---|---|---|---|
| 257322 (current) | 2020-10-06 | cif/ Updating files of 1556703, 1556704 Original log message: Adding full bibliography for 1556703--1556704.cif. |
1556704.cif |
| 248882 | 2020-03-05 | cif/ Updating files of 1556703, 1556704 Original log message: Adding full bibliography for 1556703--1556704.cif. |
1556704.cif |
| 245497 | 2019-12-22 | cif/ Adding structures of 1556703, 1556704 via cif-deposit CGI script. |
1556704.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.