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Information card for entry 1571527
Preview
| Coordinates | 1571527.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H36 Br2 N2 O5 |
|---|---|
| Calculated formula | C48 H36 Br2 N2 O5 |
| SMILES | Brc1ccc2c(c3c4ccc(Br)cc4ccc3NC(=O)C(O)(c3ccccc3)c3ccccc3)c(NC(=O)C(O)(c3ccccc3)c3ccccc3)ccc2c1.O |
| Title of publication | Employing racemization strategies to simultaneously enhance the quantum yield, lifetime, and water stability of room-temperature phosphorescent materials. |
| Authors of publication | Lin, Zenggang; Zhang, Peng; Song, Fuqiang; Yang, Yuzhu; Miao, Xuan; Liu, Weisheng |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 21 |
| Pages of publication | 8052 - 8061 |
| a | 10.42669 ± 0.00014 Å |
| b | 12.40814 ± 0.00015 Å |
| c | 18.05325 ± 0.00018 Å |
| α | 79.3587 ± 0.0009° |
| β | 81.0124 ± 0.001° |
| γ | 87.8419 ± 0.001° |
| Cell volume | 2267.21 ± 0.05 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0559 |
| Residual factor for significantly intense reflections | 0.0536 |
| Weighted residual factors for significantly intense reflections | 0.1481 |
| Weighted residual factors for all reflections included in the refinement | 0.1505 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| 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 |
|---|---|---|---|
| 299663 (current) | 2025-05-14 | cif/1: Fixing some Z values and formulae |
1571527.cif |
| 292930 | 2024-07-05 | cif/ Updating files of 1571524, 1571525, 1571526, 1571527 Original log message: Adding full bibliography for 1571524--1571527.cif. |
1571527.cif |
| 291459 | 2024-05-03 | cif/ Adding structures of 1571524, 1571525, 1571526, 1571527 via cif-deposit CGI script. |
1571527.cif |
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Users of the data should acknowledge the original authors of the
structural data.