Information card for entry 1565234

Structure parameters

• Formula: C42 H59 B2 O4 P
• Calculated formula: C42 H59 B2 O4 P
• Title of publication: Proton to Hydride Umpolung at a Phosphonium Center Via Electron Relay: A New Strategy for Main-Group Based Water Reduction
• Authors of publication: Oishi, Takumi; Lugo-Fuentes, Leonardo I.; Jing, Yichuan; Jimenez-Halla, Jose Oscar Carlos; Barroso-Flores, Joaquín; Nakamoto, Masaaki; Yamamoto, Yohsuke; Tsunoji, Nao; Shang, Rong
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 10.542 ± 0.008 Å
• b: 10.722 ± 0.008 Å
• c: 17.445 ± 0.014 Å
• α: 96.766 ± 0.007°
• β: 96.231 ± 0.014°
• γ: 104.461 ± 0.009°
• Cell volume: 1876 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No