Information card for entry 7135936

Structure parameters

• Chemical name: 4-(phenylselanyl)benzo[d][1,3]dioxole-5-carboxamide
• Formula: C14 H11 N O3 Se
• Calculated formula: C14 H11 N O3 Se
• Title of publication: Additive Controlled Switchable Mono-vs. Di-Selenylation of Primary Arylamides via Ru(II) Catalyzed C-H activation
• Authors of publication: Mishra, Saksham; Kumar, Amit
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 5.0631 ± 0.0013 Å
• b: 8.94 ± 0.002 Å
• c: 15.051 ± 0.004 Å
• α: 97.607 ± 0.012°
• β: 91.807 ± 0.012°
• γ: 105.462 ± 0.012°
• Cell volume: 649.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1827
• Weighted residual factors for all reflections included in the refinement: 0.2127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.261
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No