Information card for entry 7244942

Structure parameters

• Formula: C12 H12 N2 O2 Se
• Calculated formula: C12 H12 N2 O2 Se
• Title of publication: Silver-catalyzed three-component reaction of uracils, arylboronic acids, and selenium: synthesis of 5-arylselanyluracils
• Authors of publication: Murata, Yuki; Tsuchida, Saori; Nezaki, Rena; Kitamura, Yuki; Matsumura, Mio; Yasuike, Shuji
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 23
• Pages of publication: 14502 - 14508
• a: 12.3026 ± 0.0001 Å
• b: 10.1928 ± 0.0001 Å
• c: 56.9658 ± 0.0004 Å
• α: 90°
• β: 94.734 ± 0.001°
• γ: 90°
• Cell volume: 7119.02 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0446
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No