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Information card for entry 7131057
Preview
| Coordinates | 7131057.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H9 N O4 |
|---|---|
| Calculated formula | C15 H9 N O4 |
| SMILES | N(=O)(=O)c1ccc(/C=C2\Oc3c(cccc3)C2=O)cc1 |
| Title of publication | AIE-active aurones for circularly polarized luminescence and trace water detection. |
| Authors of publication | Duan, Wenzeng; Liu, Wenjing; Liu, Houting; Ji, Honghan; Huo, Yanmin; Wang, Huaiwei; Gong, Shuwen |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2022 |
| a | 3.855 ± 0.0004 Å |
| b | 6.9039 ± 0.0007 Å |
| c | 11.2145 ± 0.0011 Å |
| α | 91.025 ± 0.002° |
| β | 93.364 ± 0.003° |
| γ | 96.825 ± 0.004° |
| Cell volume | 295.75 ± 0.05 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0961 |
| Residual factor for significantly intense reflections | 0.0885 |
| Weighted residual factors for significantly intense reflections | 0.2224 |
| Weighted residual factors for all reflections included in the refinement | 0.2301 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279654 (current) | 2022-12-01 | cif/ Adding structures of 7131056, 7131057 via cif-deposit CGI script. |
7131057.cif |
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Users of the data should acknowledge the original authors of the
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