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Information card for entry 7241933
Preview
| Coordinates | 7241933.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H21 F9 N2 O4 |
|---|---|
| Calculated formula | C29 H21 F9 N2 O4 |
| Title of publication | Self-reversible mechanofluorochromism of AIE-active C6-unsubstituted tetrahydropyrimidine derivatives |
| Authors of publication | Liu, Yanshan; Liao, Yunhui; Ye, Ziwei; Chen, Lina; He, Yun; Huang, Yifan; Lai, Yingyu; Chen, Junguo; Zhu, Qiuhua |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 1 |
| Pages of publication | 15 - 22 |
| a | 14.2291 ± 0.0017 Å |
| b | 11.4539 ± 0.0014 Å |
| c | 17.931 ± 0.002 Å |
| α | 90° |
| β | 105.852 ± 0.002° |
| γ | 90° |
| Cell volume | 2811.2 ± 0.6 Å3 |
| Cell temperature | 187.49 K |
| Ambient diffraction temperature | 187.49 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0731 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0945 |
| Weighted residual factors for all reflections included in the refinement | 0.112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260111 (current) | 2020-12-23 | cif/ Adding structures of 7241932, 7241933 via cif-deposit CGI script. |
7241933.cif |
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Users of the data should acknowledge the original authors of the
structural data.