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Information card for entry 7711835
Preview
| Coordinates | 7711835.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H92 P2 Se2 |
|---|---|
| Calculated formula | C78 H92 P2 Se2 |
| Title of publication | Deoxygenation of chalcogen oxides EO2 (E = S, Se) with phospha-Wittig reagents |
| Authors of publication | Dankert, Fabian; Gupta, Priyanka; Wellnitz, Tim; Baumann, Wolfgang; Hering-Junghans, Christian |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 10.6443 ± 0.0005 Å |
| b | 13.4424 ± 0.0005 Å |
| c | 13.6754 ± 0.0006 Å |
| α | 75.973 ± 0.002° |
| β | 71.929 ± 0.002° |
| γ | 67.041 ± 0.002° |
| Cell volume | 1696.32 ± 0.13 Å3 |
| Cell temperature | 150.01 K |
| Ambient diffraction temperature | 150.01 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0393 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0868 |
| Weighted residual factors for all reflections included in the refinement | 0.0905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279519 (current) | 2022-11-24 | cif/ Adding structures of 7711830, 7711831, 7711832, 7711833, 7711834, 7711835, 7711836 via cif-deposit CGI script. |
7711835.cif |
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Users of the data should acknowledge the original authors of the
structural data.