Information card for entry 7122090

Structure parameters

• Formula: C13 H15 F3 O3 S Se
• Calculated formula: C13 H15 F3 O3 S Se
• Title of publication: Visible-light promoted fluoroalkylselenolation: toward the reactivity of unsaturated compounds.
• Authors of publication: Ghiazza, Clément; Khrouz, Lhoussain; Monnereau, Cyrille; Billard, Thierry; Tlili, Anis
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 71
• Pages of publication: 9909 - 9912
• a: 23.29 ± 0.003 Å
• b: 12.0766 ± 0.0017 Å
• c: 5.2849 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1486.5 ± 0.3 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections: 0.136
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9689
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No