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Information card for entry 8107359
Preview
| Coordinates | 8107359.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H26 P2 S2 |
|---|---|
| Calculated formula | C27 H26 P2 S2 |
| Title of publication | Crystal structure of propane-1,3-diylbis(diphenylphosphine sulfide) ethanol solvate, C27H26P2S2 |
| Authors of publication | Tapala, Kgaugelo C.; Clayton, Hadley S. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 1 |
| Pages of publication | 83 - 85 |
| a | 16.9196 ± 0.0012 Å |
| b | 16.9196 ± 0.0012 Å |
| c | 9.4187 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2696.3 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 79 |
| Hermann-Mauguin space group symbol | I 4 |
| Hall space group symbol | I 4 |
| Residual factor for all reflections | 0.0463 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0687 |
| Weighted residual factors for all reflections included in the refinement | 0.0726 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284464 (current) | 2023-06-15 | cif/ Adding structures of 8107359 via cif-deposit CGI script. |
8107359.cif |
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Users of the data should acknowledge the original authors of the
structural data.