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Information card for entry 1564369
Preview
| Coordinates | 1564369.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H12 B2 N2 O2 |
|---|---|
| Calculated formula | C12 H12 B2 N2 O2 |
| SMILES | O1B(Nc2c(B1O)cccc2)c1c(N)cccc1 |
| Title of publication | A novel aggregation‒induced enhanced emission aromatic molecule: 2-aminophenylboronic acid dimer |
| Authors of publication | Li, Xiaopei; Wang, Dongdong; Zhang, Yongjie; Lu, Wenqi; Yang, Songqiu; Hou, Guangjin; Zhao, Zhenchao; Qin, Haijuan; Zhang, Yahui; Li, Minmin; Qing, Guangyan |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 15.0331 ± 0.0006 Å |
| b | 5.0718 ± 0.0003 Å |
| c | 15.8131 ± 0.0008 Å |
| α | 90° |
| β | 111.04 ± 0.002° |
| γ | 90° |
| Cell volume | 1125.29 ± 0.1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0792 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.1048 |
| Weighted residual factors for all reflections included in the refinement | 0.1204 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268124 (current) | 2021-08-19 | cif/ Adding structures of 1564369 via cif-deposit CGI script. |
1564369.cif |
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