Information card for entry 7159793

Structure parameters

• Formula: C16 H16 Cl2 O2 Se
• Calculated formula: C16 H16 Cl2 O2 Se
• SMILES: [Se](c1ccccc1)CC(O)(C)COc1cc(Cl)ccc1Cl
• Title of publication: Electrochemical selenofunctionalization of unactivated alkenes: access to β-hydroxy-selenides
• Authors of publication: Dapkekar, Anil Balajirao; Satyanarayana, Gedu
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 9
• Pages of publication: 1775 - 1781
• a: 9.42 ± 0.0018 Å
• b: 25.033 ± 0.005 Å
• c: 7.5118 ± 0.0014 Å
• α: 90°
• β: 111.342 ± 0.006°
• γ: 90°
• Cell volume: 1649.9 ± 0.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0775
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No