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Information card for entry 4518188
Preview
| Coordinates | 4518188.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H28 N4 S2 |
|---|---|
| Calculated formula | C46 H28 N4 S2 |
| Title of publication | Triptycene-Based Luminescent Materials in Homoconjugated Charge-Transfer Systems: Synthesis, Electronic Structures, AIE Activity, and Highly Tunable Emissions |
| Authors of publication | Lei, Puyi; Zhang, Songhe; Zhang, Niu; Yin, Xiaodong; Wang, Nan; Chen, Pangkuan |
| Journal of publication | ACS Omega |
| Year of publication | 2020 |
| a | 11.3781 ± 0.0004 Å |
| b | 11.4044 ± 0.0004 Å |
| c | 28.9791 ± 0.0011 Å |
| α | 90° |
| β | 96.823 ± 0.001° |
| γ | 90° |
| Cell volume | 3733.7 ± 0.2 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 179.99 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0955 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.1233 |
| Weighted residual factors for all reflections included in the refinement | 0.1403 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258624 (current) | 2020-10-30 | cif/ Adding structures of 4518188 via cif-deposit CGI script. |
4518188.cif |
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Users of the data should acknowledge the original authors of the
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