Information card for entry 4038593

Structure parameters

• Formula: C30 H22 F6 N0 O2 S4
• Calculated formula: C30 H22 F6 O2 S4
• Title of publication: Visible-Light Photocatalysis of Eosin Y: HAT and Complementing MS-CPET Strategy to Trifluoromethylation of β-Ketodithioesters with Langlois' Reagent.
• Authors of publication: Soni, Sonam; Pali, Pragya; Ansari, Monish Arbaz; Singh, Maya Shankar
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 7.8473 ± 0.0004 Å
• b: 7.4755 ± 0.0004 Å
• c: 24.8721 ± 0.0013 Å
• α: 90°
• β: 94.13 ± 0.001°
• γ: 90°
• Cell volume: 1455.27 ± 0.13 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.0551
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No