Information card for entry 2221635

Structure parameters

• Chemical name: <i>P</i>-[<i>N</i>-(Diphenylphosphorothioyl)isopropylamino]-<i>N</i>- isopropyl-<i>P</i>-phenylthiophosphinic amide
• Formula: C24 H30 N2 P2 S2
• Calculated formula: C24 H30 N2 P2 S2
• SMILES: c1(ccccc1)P(c1ccccc1)(N(C(C)C)P(c1ccccc1)(NC(C)C)=S)=S
• Title of publication: <i>P</i>-[<i>N</i>-(Diphenylphosphorothioyl)isopropylamino]-<i>N</i>-isopropyl-<i>P</i>-phenylthiophosphinic amide
• Authors of publication: Peulecke, Normen; Aluri, Bhaskar R.; Wöhl, Anina; Spannenberg, Anke; Al-Hazmi, Mohammed H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1084
• a: 9.08354 ± 0.00019 Å
• b: 25.4654 ± 0.0007 Å
• c: 10.6557 ± 0.0002 Å
• α: 90°
• β: 100.149 ± 0.0017°
• γ: 90°
• Cell volume: 2426.27 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes