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Information card for entry 1572974
Preview
| Coordinates | 1572974.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H18 N2 O2 |
|---|---|
| Calculated formula | C20 H18 N2 O2 |
| Title of publication | Fine-tuning the molecular conformation and packing structures of coumarin-based luminogens to achieve distinct piezochromic properties upon mechanical grinding and under hydrostatic pressures. |
| Authors of publication | Fu, Shijie; Jia, Hao; Meng, Xinmiao; Wang, Chengyuan; Li, Qian; Li, Lei; Yang, Jiaxiang; Niu, Helin |
| Journal of publication | Materials horizons |
| Year of publication | 2024 |
| a | 6.633 ± 0.0006 Å |
| b | 7.5002 ± 0.0007 Å |
| c | 17.4918 ± 0.0016 Å |
| α | 79.488 ± 0.007° |
| β | 81.308 ± 0.007° |
| γ | 64.528 ± 0.007° |
| Cell volume | 769.83 ± 0.13 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0993 |
| Residual factor for significantly intense reflections | 0.0894 |
| Weighted residual factors for significantly intense reflections | 0.284 |
| Weighted residual factors for all reflections included in the refinement | 0.288 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.202 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295675 (current) | 2024-10-30 | cif/ Adding structures of 1572973, 1572974, 1572975 via cif-deposit CGI script. |
1572974.cif |
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Users of the data should acknowledge the original authors of the
structural data.