Information card for entry 7711834

Structure parameters

• Formula: C36 H58 P2 Se
• Calculated formula: C36 H58 P2 Se
• 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: 18.976 ± 0.002 Å
• b: 9.137 ± 0.0006 Å
• c: 20.677 ± 0.002 Å
• α: 90°
• β: 104.096 ± 0.008°
• γ: 90°
• Cell volume: 3477.1 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No