Information card for entry 1508509

Structure parameters

• Common name: Cyanex-301
• Formula: C16 H35 P S2
• Calculated formula: C16 H35 P S2
• SMILES: P(=S)(S)(C[C@@H](CC(C)(C)C)C)C[C@@H](CC(C)(C)C)C.P(=S)(S)(C[C@H](CC(C)(C)C)C)C[C@H](CC(C)(C)C)C
• Title of publication: Degradation of CYANEX 301 in Contact with Nitric Acid Media
• Authors of publication: Marc, Philippe; Custelcean, Radu; Groenewold, Gary S.; Klaehn, John R.; Peterman, Dean R.; Delmau, Lætitia H.
• Journal of publication: Industrial & Engineering Chemistry Research
• Year of publication: 2012
• Journal volume: 51
• Journal issue: 40
• Pages of publication: 13238
• a: 11.8398 ± 0.0012 Å
• b: 12.029 ± 0.0012 Å
• c: 14.8387 ± 0.0015 Å
• α: 75.089 ± 0.002°
• β: 82.148 ± 0.002°
• γ: 89.399 ± 0.002°
• Cell volume: 2022.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No