Information card for entry 1569941

Structure parameters

• Formula: C18 H16 F3 N O3 S
• Calculated formula: C18 H16 F3 N O3 S
• Title of publication: A palladium catalyzed asymmetric desymmetrization approach to enantioenriched 1,3-disubstituted isoindolines.
• Authors of publication: Dethe, Dattatraya H.; Kumar, Vimlesh; Shukla, Manmohan
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 40
• Pages of publication: 11267 - 11272
• a: 10.274 ± 0.002 Å
• b: 11.716 ± 0.004 Å
• c: 14.422 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1736 ± 0.8 ų
• Cell temperature: 124 K
• Ambient diffraction temperature: 124 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No