Information card for entry 7121839

Structure parameters

• Formula: C14 H16 N2 O2 S
• Calculated formula: C14 H16 N2 O2 S
• Title of publication: The triple role of rongalite in aminosulfonylation of aryldiazonium tetrafluoroborates: synthesis of N-aminosulfonamides via a radical coupling reaction.
• Authors of publication: Wang, Miao; Tang, Bo-Cheng; Wang, Jun-Gang; Xiang, Jia-Chen; Guan, Ao-Yu; Huang, Ping-Ping; Guo, Wu-Yinzheng; Wu, Yan-Dong; Wu, An-Xin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 55
• Pages of publication: 7641 - 7644
• a: 9.955 ± 0.003 Å
• b: 5.5629 ± 0.0019 Å
• c: 12.732 ± 0.004 Å
• α: 90°
• β: 92.902 ± 0.009°
• γ: 90°
• Cell volume: 704.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.0975
• Weighted residual factors for significantly intense reflections: 0.2489
• Weighted residual factors for all reflections included in the refinement: 0.291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.243
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No