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CIF Information Card
Information card for 1100914
1100913 << 1100914 >> 1100915Preview
|
Coordinates |
1100914.cif |
Structure parameters
| Chemical name | trans-3-Benzoyl-2-(tert-butyl)-4-(iso-butyl)-1,3-oxazolidin-5-one |
| Formula | - C18 H25 N O3 - |
| Calculated formula | - C18 H25 N O3 - |
| Title of publication | trans-3-Benzoyl-2-(tert-butyl)-4-(iso-butyl)-1,3-oxazolidin-5-one |
| Authors of publication | Willis, Anthony C.; Beckwith, Athelstan L.J.; Tozer, Matthew J. |
| a | 5.959 ± 0.001 Å |
| b | 14.956 ± 0.001 Å |
| c | 19.737 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1759 ± 0.3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 21 21 21 |
| Hall symmetry space group | P 2ac 2ab |
| Residual factor for all reflections | 0.038 |
| Residual factor for observed reflections | 0.034 |
| Weighted residual factors for all reflections | 0.044 |
| Weighted residual factors for the observed reflections | 0.042 |
| Goodness-of-fit parameter for all reflections | 1.462 |
| Goodness-of-fit parameter for observed reflections | 1.515 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CopperKα |
| Dublicate of | 2000169 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |