Information card for entry 2004869

Structure parameters

• Chemical name: (Phenyl) (pyrrolidino) (dicyclohexylamino) phosphiniminocyclotrithiazene
• Formula: C22 H35 N6 P S3
• Calculated formula: C22 H35 N6 P S3
• SMILES: P(=NS1=NSN=S=N1)(N1CCCC1)(N(C1CCCCC1)C1CCCCC1)c1ccccc1
• Title of publication: <i>S</i>-[(Dicyclohexylamino)(phenyl)(1-pyrrolidinyl)phosphinimino]cyclotrithiazene
• Authors of publication: Janaswamy, S.; Sreenivasa Murthy, G.; Mohan, T.; Sudheendra Rao, M. N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1250 - 1252
• a: 10.1856 ± 0.0001 Å
• b: 10.8535 ± 0.0001 Å
• c: 23.1658 ± 0.0002 Å
• α: 90°
• β: 94.77 ± 0.01°
• γ: 90°
• Cell volume: 2552.1 ± 0.06 ų
• Cell temperature: 300 ± 1 K
• Ambient diffraction temperature: 300 ± 1 K
• Number of distinct elements: 5
• 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: 0.0551
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections: 0.147
• Weighted residual factors for significantly intense reflections: 0.147
• Goodness-of-fit parameter for all reflections: 1.093
• Goodness-of-fit parameter for significantly intense reflections: 1.093
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No