Information card for entry 7134170

Structure parameters

• Formula: C7 H9 N O S
• Calculated formula: C7 H9 N O S
• Title of publication: Synthesis of chiral <i>N</i>-free sulfinamides by asymmetric condensation of stable sulfinates and ammonium salts.
• Authors of publication: Xiong, Qin; Liao, Minghong; Wang, Gangyu; Shi, Hai; Wu, Xingxing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 14
• Pages of publication: 3017 - 3020
• a: 4.9512 ± 0.0006 Å
• b: 6.4395 ± 0.0008 Å
• c: 24.625 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 785.13 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1703
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No