Information card for entry 2233713

Structure parameters

• Common name: <i>O</i>,<i>O</i>'-Diisopropyl <i>S</i>-[2-(benzenesulfonamido)ethyl]phosphorodithioate
• Chemical name: <i>O</i>,<i>O</i>'-Diisopropyl <i>S</i>-[2-(benzenesulfonamido)ethyl]dithiophosphate
• Formula: C14 H24 N O4 P S3
• Calculated formula: C14 H24 N O4 P S3
• SMILES: P(=S)(SCCNS(=O)(=O)c1ccccc1)(OC(C)C)OC(C)C
• Title of publication: <i>O</i>,<i>O</i>'-Diisopropyl <i>S</i>-[2-(benzenesulfonamido)ethyl]phosphorodithioate
• Authors of publication: Wu, Hai-Feng; Liu, Xin-Yi; Zhang, Fan-Hua; He, Yun-Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o282
• a: 8.6431 ± 0.0017 Å
• b: 24.465 ± 0.005 Å
• c: 9.875 ± 0.002 Å
• α: 90°
• β: 104.99 ± 0.03°
• γ: 90°
• Cell volume: 2017 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0692
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes