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Information card for entry 1574817
Preview
| Coordinates | 1574817.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C100 H80 N8 O4 |
|---|---|
| Calculated formula | C100 H80 N8 O4 |
| Title of publication | Intramolecular Tension-Driven Self-Recovering Mechanochromism in Organic Microcrystals |
| Authors of publication | Guo, Weihan; Zhao, Hua; Wang, Mingda; Si, Leilei; Yang, Kaixin; Xia, Guomin; Wang, Hongming |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 11.358 ± 0.0002 Å |
| b | 12.5546 ± 0.0002 Å |
| c | 14.4385 ± 0.0003 Å |
| α | 104.294 ± 0.001° |
| β | 104.552 ± 0.002° |
| γ | 97.394 ± 0.001° |
| Cell volume | 1890.77 ± 0.06 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.054 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.1076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299983 (current) | 2025-06-06 | cif/ Adding structures of 1574813, 1574814, 1574815, 1574816, 1574817 via cif-deposit CGI script. |
1574817.cif |
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Users of the data should acknowledge the original authors of the
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