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Information card for entry 8107157
Preview
| Coordinates | 8107157.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H18 N3 O P |
|---|---|
| Calculated formula | C18 H18 N3 O P |
| SMILES | c1(cccc(C)n1)P(=O)(c1cccc(C)n1)c1cccc(C)n1 |
| Title of publication | The crystal structure of tris(6-methylpyridin-2-yl)phosphine oxide, C18H18N3OP |
| Authors of publication | Wu, Gui-Ling |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 4 |
| Pages of publication | 577 - 578 |
| a | 13.3987 ± 0.0017 Å |
| b | 8.7084 ± 0.0011 Å |
| c | 14.5063 ± 0.0018 Å |
| α | 90° |
| β | 95.849 ± 0.002° |
| γ | 90° |
| Cell volume | 1683.8 ± 0.4 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| 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 | 0.0509 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.1311 |
| Weighted residual factors for all reflections included in the refinement | 0.1409 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283639 (current) | 2023-05-10 | cif/ Adding structures of 8107157 via cif-deposit CGI script. |
8107157.cif |
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