Information card for entry 7161126

Structure parameters

• Formula: C30 H25 N3 O3 S
• Calculated formula: C30 H25 N3 O3 S
• Title of publication: Crab-shaped tridentate HoQ-Sulidines as bifunctional anionic ligands: empowering asymmetric addition reactions of indoles with β,γ-unsaturated α-ketoesters
• Authors of publication: Hu, Zi-Hong; Liu, Xiong-Wei; Geng, Wen-Xiu; Wang, Ning; Yao, Zhen; Li, Rui-Rui; Zhang, Wen-Hui; Liu, Xiong-Li
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 7.63797 ± 0.00004 Å
• b: 13.0551 ± 0.00008 Å
• c: 25.73785 ± 0.00017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2566.44 ± 0.03 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 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: 0.0241
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No