Information card for entry 7129578

Structure parameters

• Formula: C20 H22 F6 N2 O6 S2
• Calculated formula: C20 H22 F6 N2 O6 S2
• Title of publication: Activation of O2 Across a C(sp3)-C(sp3) Bond
• Authors of publication: Kumar, Rahul; Richter, Stefan; Maity, Suvendu; Sarkar, Pallavi; Chrysochos, Nicolas Dr.; Pati, Swapan K.; Ghosh, Prasanta; Schulzke, Carola; Jana, Anukul
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 6.4612 ± 0.0017 Å
• b: 24.723 ± 0.007 Å
• c: 7.2683 ± 0.0018 Å
• α: 90°
• β: 94.82 ± 0.02°
• γ: 90°
• Cell volume: 1156.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0603
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No