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Information card for entry 4518370
Preview
| Coordinates | 4518370.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H46 O0.5 S12 |
|---|---|
| Calculated formula | C50 H46 O0.5 S12 |
| 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 | 41.7872 ± 0.0014 Å |
| b | 9.629 ± 0.0002 Å |
| c | 29.3045 ± 0.001 Å |
| α | 90° |
| β | 123.299 ± 0.0009° |
| γ | 90° |
| Cell volume | 9855.3 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1177 |
| Residual factor for significantly intense reflections | 0.0694 |
| Weighted residual factors for significantly intense reflections | 0.1646 |
| Weighted residual factors for all reflections included in the refinement | 0.1983 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260238 (current) | 2020-12-31 | cif/ Adding structures of 4518370 via cif-deposit CGI script. |
4518370.cif |
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Users of the data should acknowledge the original authors of the
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