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Information card for entry 4128755
Preview
| Coordinates | 4128755.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C106 H86 F24 N4 O P4 |
|---|---|
| Calculated formula | C106 H86 F24 N4 O P4 |
| Title of publication | Aggregation-Induced Emission and Light-Harvesting Function of Tetraphenylethene-Based Tetracationic Dicyclophane. |
| Authors of publication | Li, Yawen; Dong, Yunhong; Cheng, Lin; Qin, Chunyan; Nian, Hao; Zhang, Haiyang; Yu, Yang; Cao, Liping |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 21 |
| Pages of publication | 8412 - 8415 |
| a | 23.025 ± 0.002 Å |
| b | 14.4111 ± 0.0013 Å |
| c | 35.128 ± 0.003 Å |
| α | 90° |
| β | 107.619 ± 0.003° |
| γ | 90° |
| Cell volume | 11109.2 ± 1.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.175 |
| Residual factor for significantly intense reflections | 0.0853 |
| Weighted residual factors for significantly intense reflections | 0.2166 |
| Weighted residual factors for all reflections included in the refinement | 0.2536 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.918 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4128755.cif |
| 221825 | 2019-11-03 | cif/ Adding structures of 4128755 via cif-deposit CGI script. |
4128755.cif |
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Users of the data should acknowledge the original authors of the
structural data.