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Information card for entry 2010664
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| Coordinates | 2010664.cif |
|---|---|
| Structure factors | 2010664.hkl |
| Original IUCr paper | HTML |
| Formula | C23 H19 N2 O3 P |
|---|---|
| Calculated formula | C23 H19 N2 O3 P |
| SMILES | P(=O)(c1c(noc1C(=O)Nc1ccccc1)C)(c1ccccc1)c1ccccc1 |
| Title of publication | 4-(Diphenylphosphinoyl)-3-methyl-<i>N</i>-phenyl-1,2-isoxazole-5-carboxamide |
| Authors of publication | Reeske, Gregor; Schürmann, Markus; Preut, Hans; Mitchell, Terence Nigel |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 2 |
| Pages of publication | e72 - e72 |
| a | 7.4055 ± 0.0002 Å |
| b | 10.3008 ± 0.0004 Å |
| c | 13.6543 ± 0.0005 Å |
| α | 79.896 ± 0.001° |
| β | 79.283 ± 0.002° |
| γ | 85.338 ± 0.002° |
| Cell volume | 1006.27 ± 0.06 Å3 |
| Cell temperature | 291 ± 1 K |
| Ambient diffraction temperature | 291 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.051 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for all reflections included in the refinement | 0.096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
structural data.