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Information card for entry 3000266
Preview
No preview available: structure is on hold until 2020-10-15
| Coordinates | Coordinates are not available: structure is on hold until 2020-10-15 |
|---|
| Chemical name | tert-butyl ((S)-1-benzyl-5-bromo-3-((R)-4-fluoro-3-methyl-5-oxo-1-phenyl- -4,5-dihydro-1H-pyrazol-4-yl)-2-oxoindolin-3-yl)carbamate |
|---|---|
| Formula | C30 H28 Br F N4 O4 |
| Authors of publication | Krištofíková, Dominika; Mečiarová, Mária; Rakovský, Erik; Šebesta, Radovan |
| Journal of publication | To be published in other ACS journals |
| a | 9.4775 ± 0.0001 Å |
| b | 11.6057 ± 0.0002 Å |
| c | 12.6312 ± 0.0002 Å |
| α | 90° |
| β | 91.707 ± 0.001° |
| γ | 90° |
| Cell volume | 1388.73 ± 0.04 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0353 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0902 |
| Weighted residual factors for all reflections included in the refinement | 0.0903 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | No |
| Has disorder | No |
| Has Fobs | No |
Version history
Not available for prepublication material.
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structural data.