Information card for entry 7129145

Structure parameters

• Formula: C18 H16 Br N O2 S Se
• Calculated formula: C18 H16 Br N O2 S Se
• Title of publication: Synthesis of β-cyanoalkylsulfonylated vinyl selenides through a four-component reaction
• Authors of publication: He, Fu-Sheng; Yao, Yanfang; Tang, Zhimei; Qiu, Yanjie; Xie, Wenlin; Wu, Jie
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 10.3416 ± 0.0009 Å
• b: 18.4062 ± 0.0016 Å
• c: 10.3029 ± 0.0009 Å
• α: 90°
• β: 112.267 ± 0.003°
• γ: 90°
• Cell volume: 1814.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0525
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No