Information card for entry 7247935

Structure parameters

• Formula: C16 H16 Cl N O2 S
• Calculated formula: C16 H16 Cl N O2 S
• Title of publication: Photocatalytic selective synthesis of (E)-β-aminovinyl sulfones and (E)-β-amidovinyl sulfones using Ru(bpy)3Cl2 as the catalyst
• Authors of publication: Huang, Yu-Wen; Li, Jia-Zhuo; Yang, Feng; Zhang, Xi-Yu; Wang, Yan-Jing; Meng, Xin-Chao; Leng, Bo-Rong; Wang, De-Cai; Zhu, Yi-Long
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 700 - 706
• a: 7.5547 ± 0.0008 Å
• b: 10.3453 ± 0.0011 Å
• c: 11.0141 ± 0.0012 Å
• α: 87.479 ± 0.003°
• β: 80.687 ± 0.002°
• γ: 70.175 ± 0.001°
• Cell volume: 799.07 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 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: 0.065
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No