Information card for entry 7159500

Structure parameters

• Formula: C16 H15 F3 O3 Se
• Calculated formula: C16 H15 F3 O3 Se
• Title of publication: Metal-free and atom-efficient protocol for diarylation of selenocyanate by diaryliodonium salts.
• Authors of publication: Radzhabov, Amirbek D.; Soldatova, Natalia S.; Ivanov, Daniil M.; Yusubov, Mekhman S.; Kukushkin, Vadim Yu; Postnikov, Pavel S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 33
• Pages of publication: 6743 - 6749
• a: 8.4142 ± 0.0002 Å
• b: 25.3815 ± 0.0004 Å
• c: 8.4387 ± 0.0002 Å
• α: 90°
• β: 119.088 ± 0.003°
• γ: 90°
• Cell volume: 1574.91 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0778
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1803
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No