Information card for entry 4086802

Structure parameters

• Formula: C20 H26 P2 S2
• Calculated formula: C20 H26 P2 S2
• SMILES: S=[P@@]1([P@@](=S)(C(CCC1(C)C)(C)C)c1ccccc1)c1ccccc1.S=[P@]1([P@](=S)(C(CCC1(C)C)(C)C)c1ccccc1)c1ccccc1
• Title of publication: Reactivity Studies of [(thf)2Mg{μ-C(CH3)2C2H4C(CH3)2}]2: Scrambling Reactions and Diverse Reactions with Dichlorophenylphosphane
• Authors of publication: Fischer, Reinald; Görls, Helmar; Westerhausen, Matthias
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 22
• Pages of publication: 3861
• a: 16.4073 ± 0.0003 Å
• b: 8.0918 ± 0.0002 Å
• c: 16.7052 ± 0.0003 Å
• α: 90°
• β: 114.488 ± 0.001°
• γ: 90°
• Cell volume: 2018.36 ± 0.07 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• 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: 0.0509
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No