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Information card for entry 7134799
Preview
| Coordinates | 7134799.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | TCNA |
|---|---|
| Formula | C84 H54 N8 |
| Calculated formula | C84 H54 N8 |
| Title of publication | Structural isomers of imine-linked covalent organic cages with divergent photocatalytic properties |
| Authors of publication | Li, Jiajia; Yang, Yanping; Hii, Shan Shiang; Zhu, Xinyuan; Wang, Youfu |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| Journal volume | 61 |
| Journal issue | 40 |
| Pages of publication | 7281 - 7284 |
| a | 10.8437 ± 0.0004 Å |
| b | 25.2054 ± 0.0009 Å |
| c | 37.5571 ± 0.0014 Å |
| α | 73.902 ± 0.002° |
| β | 83.492 ± 0.002° |
| γ | 77.695 ± 0.002° |
| Cell volume | 9619.9 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1557 |
| Residual factor for significantly intense reflections | 0.0776 |
| Weighted residual factors for significantly intense reflections | 0.2158 |
| Weighted residual factors for all reflections included in the refinement | 0.2589 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300321 (current) | 2025-07-04 | cif/ Adding structures of 7134799, 7134800 via cif-deposit CGI script. |
7134799.cif |
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Users of the data should acknowledge the original authors of the
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