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Information card for entry 7121855
Preview
| Coordinates | 7121855.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H42 N2 O4 S2 |
|---|---|
| Calculated formula | C44 H42 N2 O4 S2 |
| Title of publication | One-step synthesis of cyclic compounds towards easy room-temperature phosphorescence and deep blue thermally activated delayed fluorescence. |
| Authors of publication | Hu, Yingyuan; Wang, Zhenfeng; Jiang, Xiaofang; Cai, Xinyi; Su, Shi-Jian; Huang, Fei; Cao, Yong |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 56 |
| Pages of publication | 7850 - 7853 |
| a | 7.2994 ± 0.0002 Å |
| b | 9.0319 ± 0.0003 Å |
| c | 14.3088 ± 0.0003 Å |
| α | 84.935 ± 0.002° |
| β | 77.163 ± 0.002° |
| γ | 84.614 ± 0.002° |
| Cell volume | 913.49 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0426 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.1107 |
| Weighted residual factors for all reflections included in the refinement | 0.1114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| 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 |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121855.cif |
| 228137 | 2019-11-17 | cif/ Updating files of 7121855, 7121856 Original log message: Adding full bibliography for 7121855--7121856.cif. |
7121855.cif |
| 208544 | 2018-06-20 | cif/ Adding structures of 7121855, 7121856 via cif-deposit CGI script. |
7121855.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.