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Information card for entry 7243614
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| Coordinates | 7243614.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | T4 |
|---|---|
| Formula | C30 H19 P S6 Se |
| Calculated formula | C30 H19 P S6 Se |
| Title of publication | Excited-State Engineering of Oligothiophenes via Phosphorus Chemistry towards Strong Fluorescent Materials |
| Authors of publication | Yang, Zi; Zhang, Zhikai; Xue, CeCe; Yang, Kai; Gao, Rong; Yu, Na; Ren, Yi |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2021 |
| a | 8.8726 ± 0.0006 Å |
| b | 12.5498 ± 0.0008 Å |
| c | 25.9772 ± 0.0017 Å |
| α | 92.616 ± 0.003° |
| β | 97.874 ± 0.003° |
| γ | 100.725 ± 0.003° |
| Cell volume | 2807.7 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 149.99 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0742 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.13 |
| Weighted residual factors for all reflections included in the refinement | 0.1461 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269307 (current) | 2021-09-25 | cif/ Adding structures of 7243614 via cif-deposit CGI script. |
7243614.cif |
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Users of the data should acknowledge the original authors of the
structural data.