Information card for entry 7158118

Structure parameters

• Formula: C15 H19 N O4 S
• Calculated formula: C15 H19 N O4 S
• Title of publication: Diastereoselective synthesis of chiral 3-substituted isoindolinones <i>via</i> rhodium(III)-catalyzed oxidative C-H olefination/annulation.
• Authors of publication: Li, Xue-Hong; Gong, Jun-Fang; Song, Mao-Ping
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 26
• Pages of publication: 5876 - 5887
• a: 8.6665 ± 0.0005 Å
• b: 9.0914 ± 0.0005 Å
• c: 20.0289 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1578.09 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0515
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No