Information card for entry 7711836

Structure parameters

• Formula: C54 H70 O3 P2
• Calculated formula: C54 H70 O3 P2
• 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: 13.3067 ± 0.0017 Å
• b: 14.058 ± 0.002 Å
• c: 15.661 ± 0.002 Å
• α: 114.769 ± 0.01°
• β: 95.47 ± 0.011°
• γ: 108.119 ± 0.011°
• Cell volume: 2440.3 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0866
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No