Information card for entry 1548808

Structure parameters

• Chemical name: 2,2'-bis[diethylaminomethyl] -6,6'-thiobis[4-t-butylphenol]
• Formula: C34 H56 N2 O2 S
• Calculated formula: C34 H56 N2 O2 S
• SMILES: S(c1c(O)c(cc(c1)C(C)(C)C)CN(CCC)CCC)c1c(O)c(cc(c1)C(C)(C)C)CN(CCC)CCC
• Title of publication: Thiodiphenol-Based n-Dialkylamino Extractants for Selective Platinum Group Metal Separation from Automotive Catalysts
• Authors of publication: Yamada, Manabu; Rajiv Gandhi, Muniyappan; Kaneta, Yu; Kimura, Nozomi; Katagiri, Hiroshi
• Journal of publication: Industrial & Engineering Chemistry Research
• Year of publication: 2018
• a: 15.9714 ± 0.0003 Å
• b: 18.4729 ± 0.0004 Å
• c: 11.1685 ± 0.0002 Å
• α: 90°
• β: 92.514 ± 0.002°
• γ: 90°
• Cell volume: 3291.96 ± 0.11 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 ± 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: 0.0562
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No