Information card for entry 7118620

Structure parameters

• Formula: C15 H20 F3 N4 O3 P S3
• Calculated formula: C15 H20 F3 N4 O3 P S3
• SMILES: c1cc(cc[n+]1P([n+]1ccc(cc1)N(C)C)(=S)[S-])N(C)C.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Tetra-cationic imidazoliumyl-substituted phosphorus-sulfur heterocycles from a cationic organophosphorus sulfide.
• Authors of publication: Henne, Florian D.; Watt, Fabian A.; Schwedtmann, Kai; Hennersdorf, Felix; Kokoschka, Malte; Weigand, Jan J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2023 - 2026
• a: 8.3991 ± 0.0006 Å
• b: 10.1015 ± 0.0007 Å
• c: 13.5475 ± 0.0009 Å
• α: 69.158 ± 0.001°
• β: 78.162 ± 0.001°
• γ: 84.594 ± 0.001°
• Cell volume: 1051.08 ± 0.13 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No