Information card for entry 7130880

Structure parameters

• Formula: C15 H10 Br2 N2 O3 S
• Calculated formula: C15 H10 Br2 N2 O3 S
• Title of publication: Electro-oxidation induced O–S cross-coupling of quinoxalinones with sodium sulfinates for synthesizing 2-sulfonyloxylated quinoxalines
• Authors of publication: Shi, Shi-Hui; Wei, Jian; Liang, Chun-Miao; Bai, Huan; Zhu, Hai-Tao; Zhang, Yantu; Fu, Feng
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 6.2412 ± 0.0007 Å
• b: 8.1065 ± 0.0009 Å
• c: 16.0274 ± 0.0018 Å
• α: 88.586 ± 0.004°
• β: 79.678 ± 0.003°
• γ: 84.807 ± 0.004°
• Cell volume: 794.47 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0779
• 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