Information card for entry 7244482

Structure parameters

• Formula: C20 H19 N O2 S
• Calculated formula: C20 H19 N O2 S
• Title of publication: Sustainable electrochemical dehydrogenative C(sp3)–H mono/di-alkylations
• Authors of publication: He, Jin-Yu; Qian, Wei-Feng; Wang, Yan-Zhao; Yao, Chaochao; Wang, Nana; Liu, Huilin; Zhong, Bing; Zhu, Cuiju; Xu, Hao
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 2483 - 2491
• a: 26.979 ± 0.004 Å
• b: 9.2286 ± 0.0012 Å
• c: 14.3392 ± 0.0019 Å
• α: 90°
• β: 102.602 ± 0.002°
• γ: 90°
• Cell volume: 3484.1 ± 0.8 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No