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Information card for entry 4518373
Preview
| Coordinates | 4518373.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H34 O2 S6 |
|---|---|
| Calculated formula | C44 H34 O2 S6 |
| Title of publication | Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence. |
| Authors of publication | Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2020 |
| a | 9.686 ± 0.002 Å |
| b | 26.229 ± 0.004 Å |
| c | 15.738 ± 0.003 Å |
| α | 90° |
| β | 104.355 ± 0.008° |
| γ | 90° |
| Cell volume | 3873.5 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.1584 |
| Residual factor for significantly intense reflections | 0.0834 |
| Weighted residual factors for significantly intense reflections | 0.1907 |
| Weighted residual factors for all reflections included in the refinement | 0.2403 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260241 (current) | 2020-12-31 | cif/ Adding structures of 4518373 via cif-deposit CGI script. |
4518373.cif |
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