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Information card for entry 7122777
Preview
| Coordinates | 7122777.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H28 N4 O4 |
|---|---|
| Calculated formula | C29 H28 N4 O4 |
| Title of publication | Aggregation-induced emission (AIE)-active molecules bearing singlet oxygen generation activities: the tunable singlet-triplet energy gap matters |
| Authors of publication | Zhang, Chengkai; Zhao, Yanqian; Li, Dandan; Liu, Jiejie; Han, Heguo; He, Daoyu; Tian, Xiaohe; Li, Shengli; Wu, Jieying; Tian, Yupeng |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 22.944 ± 0.003 Å |
| b | 22.21 ± 0.003 Å |
| c | 10.0282 ± 0.0014 Å |
| α | 90° |
| β | 91.284 ± 0.002° |
| γ | 90° |
| Cell volume | 5108.9 ± 1.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1892 |
| Residual factor for significantly intense reflections | 0.0879 |
| Weighted residual factors for significantly intense reflections | 0.2103 |
| Weighted residual factors for all reflections included in the refinement | 0.2467 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.187 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212899 (current) | 2019-01-11 | cif/ Adding structures of 7122775, 7122776, 7122777, 7122778, 7122779 via cif-deposit CGI script. |
7122777.cif |
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Users of the data should acknowledge the original authors of the
structural data.