Information card for entry 7248502

Structure parameters

• Formula: C8 H21 O4 P S
• Calculated formula: C8 H21 O4 P S
• SMILES: S(=O)(=O)(O)[O-].[P+](CC)(CC)(CC)CC
• Title of publication: Synthesis and structural trends in a series of simple tetraalkylphosphonium salts
• Authors of publication: Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 20
• Pages of publication: 2673 - 2682
• a: 8.2712 ± 0.0007 Å
• b: 9.0723 ± 0.0005 Å
• c: 9.5156 ± 0.0005 Å
• α: 91.535 ± 0.005°
• β: 108.541 ± 0.007°
• γ: 113.825 ± 0.007°
• Cell volume: 609.29 ± 0.09 ų
• Cell temperature: 99.9 ± 0.3 K
• Ambient diffraction temperature: 99.9 ± 0.3 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: 0.08
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.236
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0145
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No