Information card for entry 7248501

Structure parameters

• Formula: C8 H21 O4 P S
• Calculated formula: C8 H21 O4 P S
• Title of publication: Synthesis and structural trends in a series of simple tetraalkylphosphonium salts
• Authors of publication: Gawraczynski, Jakub; Leszczynski, Piotr J.; Cyranski, Michal Ksawery; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijalkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 9.1506 ± 0.0009 Å
• b: 14.1196 ± 0.0014 Å
• c: 9.8428 ± 0.001 Å
• α: 90°
• β: 90.112 ± 0.008°
• γ: 90°
• Cell volume: 1271.7 ± 0.2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0444
• Goodness-of-fit parameter for all reflections: 2.6088
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.79031 Å
• Diffraction radiation type: CoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No