Information card for entry 7249763

Structure parameters

• Formula: C42 H32 F3 N O3 P2 S
• Calculated formula: C42 H32 F3 N O3 P2 S
• Title of publication: Mechanistic insights into the base-mediated deuteration of pyridyl phosphonium and ammonium salts
• Authors of publication: Montoli, Arianna; Dimasi, Alessandro; Guarnaccia, Miriana; Citarella, Andrea; Ronchi, Paolo; Blasi, Delia; Rossi, Sergio; Passarella, Daniele; Fasano, Valerio
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 870 - 874
• a: 25.4662 ± 0.0014 Å
• b: 13.0867 ± 0.0005 Å
• c: 24.1761 ± 0.0014 Å
• α: 90°
• β: 114.318 ± 0.007°
• γ: 90°
• Cell volume: 7342.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2089
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.2072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No