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Information card for entry 2023366
Preview
| Coordinates | 2023366.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Bis(2,3,5,6-tetramethylphenyl)phosphine |
|---|---|
| Formula | C20 H27 P |
| Calculated formula | C20 H27 P |
| Title of publication | Polymorphism in a secondary phosphine |
| Authors of publication | Liu, Mo; Izod, Keith; Waddell, Paul G. |
| Journal of publication | Acta Crystallographica Section C Structural Chemistry |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 2 |
| Pages of publication | 109 - 113 |
| a | 6.5476 ± 0.0002 Å |
| b | 5.991 ± 0.0002 Å |
| c | 21.5676 ± 0.0006 Å |
| α | 90° |
| β | 96.02 ± 0.002° |
| γ | 90° |
| Cell volume | 841.36 ± 0.04 Å3 |
| Cell temperature | 150 ± 0.2 K |
| Ambient diffraction temperature | 150 ± 0.2 K |
| Number of distinct elements | 3 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.047 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.1096 |
| Weighted residual factors for all reflections included in the refinement | 0.1181 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297542 (current) | 2025-01-31 | cif/ Adding structures of 2023366, 2023367 via cif-deposit CGI script. |
2023366.cif |
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Users of the data should acknowledge the original authors of the
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