Information card for entry 1567704

Structure parameters

• Formula: C27 H23 N O2 S
• Calculated formula: C27 H23 N O2 S
• Title of publication: Palladium-catalyzed intramolecular enantioselective C(sp3)–H insertion of donor/donor carbenes
• Authors of publication: Li, Wendeng; Zhang, He; Chen, Kai; Jiang, Huanfeng; Sun, Jianwei; Zhu, Shifa
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 42
• Pages of publication: 12396 - 12402
• a: 9.4589 ± 0.0006 Å
• b: 9.3504 ± 0.0005 Å
• c: 12.948 ± 0.0008 Å
• α: 90°
• β: 110.298 ± 0.007°
• γ: 90°
• Cell volume: 1074.06 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No