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Information card for entry 1552151
Preview
| Coordinates | 1552151.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H45 B N2 |
|---|---|
| Calculated formula | C48 H45 B N2 |
| SMILES | N(c1ccc(N(c2ccccc2)c2ccccc2)cc1)(c1ccc(cc1)B(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1ccccc1 |
| Title of publication | A “simple” donor–acceptor AIEgen with multi-stimuli responsive behavior |
| Authors of publication | Zhang, Jing; Li, Aisen; Zou, Hang; Peng, Junhui; Guo, Jiali; Wu, Wenjie; Zhang, Haoke; Zhang, Jun; Gu, Xinggui; Xu, Weiqing; Xu, Shuping; Liu, Sheng Hua; Qin, Anjun; Lam, Jacky W. Y.; Tang, Ben Zhong |
| Journal of publication | Materials Horizons |
| Year of publication | 2020 |
| Journal volume | 7 |
| Journal issue | 1 |
| Pages of publication | 135 - 142 |
| a | 7.5979 ± 0.0002 Å |
| b | 32.4387 ± 0.0006 Å |
| c | 16.8075 ± 0.0004 Å |
| α | 90° |
| β | 115.761 ± 0.002° |
| γ | 90° |
| Cell volume | 3730.78 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0755 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.1532 |
| Weighted residual factors for all reflections included in the refinement | 0.1638 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1552151.cif |
| 258152 | 2020-10-06 | cif/ Updating files of 1552151 Original log message: Adding full bibliography for 1552151.cif. |
1552151.cif |
| 247841 | 2020-02-04 | cif/ Updating files of 1552151 Original log message: Adding full bibliography for 1552151.cif. |
1552151.cif |
| 217425 | 2019-08-06 | cif/ Adding structures of 1552151 via cif-deposit CGI script. |
1552151.cif |
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