Information card for entry 3000266

Structure parameters

• 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 ų
• 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