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Information card for entry 7711831
Preview
| Coordinates | 7711831.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H50 P2 S |
|---|---|
| Calculated formula | C48 H50 P2 S |
| 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 | 12.9047 ± 0.0005 Å |
| b | 20.0414 ± 0.0008 Å |
| c | 16.354 ± 0.0007 Å |
| α | 90° |
| β | 108.973 ± 0.003° |
| γ | 90° |
| Cell volume | 3999.8 ± 0.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0968 |
| Residual factor for significantly intense reflections | 0.0662 |
| Weighted residual factors for significantly intense reflections | 0.1731 |
| Weighted residual factors for all reflections included in the refinement | 0.194 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7711831.cif |
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Users of the data should acknowledge the original authors of the
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