Information card for entry 1556262

Structure parameters

• Formula: C24 H14 F4 N2 S
• Calculated formula: C24 H14 F4 N2 S
• SMILES: Fc1c([S-])c(c(F)nc1F)F.[nH+]1c2c(c(c3c1cccc3)c1ccccc1)cccc2
• Title of publication: A novel photoredox-active group for the generation of fluorinated radicals from difluorostyrenes
• Authors of publication: Zubkov, Mikhail O.; Kosobokov, Mikhail D.; Levin, Vitalij V.; Kokorekin, Vladimir A.; Korlyukov, Alexander A.; Hu, Jinbo; Dilman, Alexander D.
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 3
• Pages of publication: 737 - 741
• a: 8.6198 ± 0.0003 Å
• b: 7.7249 ± 0.0003 Å
• c: 29.3919 ± 0.0011 Å
• α: 90°
• β: 91.201 ± 0.001°
• γ: 90°
• Cell volume: 1956.69 ± 0.13 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• 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: 0.0581
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No