Information card for entry 2233668

Structure parameters

• Chemical name: Tetramethylammonium dimethyl (phenylsulfonylamido)phosphate(1-)
• Formula: C12 H23 N2 O5 P S
• Calculated formula: C12 H23 N2 O5 P S
• SMILES: P(=O)(N=S(=O)([O-])c1ccccc1)(OC)OC.[N+](C)(C)(C)C
• Title of publication: Tetramethylammonium dimethyl (phenylsulfonylamido)phosphate(1{-})
• Authors of publication: Trush, Elizaveta A.; Shishkin, Oleg V.; Trush, Victor A.; Konovalova, Irina S.; Sliva, Tetyana Yu.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o273
• a: 15.284 ± 0.0009 Å
• b: 9.269 ± 0.002 Å
• c: 12.165 ± 0.0011 Å
• α: 90 ± 0.001°
• β: 98.279 ± 0.009°
• γ: 90 ± 0.003°
• Cell volume: 1705.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 0.774
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes