Information card for entry 7711831

Structure parameters

• Formula: C48 H50 P2 S
• Calculated formula: C48 H50 P2 S
• Title of publication: Deoxygenation of chalcogen oxides EO2 (E = S, Se) with phospha-Wittig reagents
• Authors of publication: Dankert, Fabian; Gupta, Priyanka; Wellnitz, Tim; Baumann, Wolfgang; Hering-Junghans, Christian
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.9047 ± 0.0005 Å
• b: 20.0414 ± 0.0008 Å
• c: 16.354 ± 0.0007 Å
• α: 90°
• β: 108.973 ± 0.003°
• γ: 90°
• Cell volume: 3999.8 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0968
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1731
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No