Information card for entry 4035213

Structure parameters

• Formula: C22 H19 Cl N2 O4 S
• Calculated formula: C22 H19 Cl N2 O4 S
• SMILES: Clc1ccc(C(=O)/C(=N/Nc2ccc(OC)cc2)S(=O)(=O)c2ccc(cc2)C)cc1
• Title of publication: Copper(II)-Catalyzed Four-Component Oxysulfonylation/Diazenylation: Synthesis of α-Arylhydrazo-β-keto Sulfones.
• Authors of publication: Gao, Wen-Chao; Cheng, Yu-Fei; Shang, Yu-Zhu; Chang, Hong-Hong; Li, Xing; Zhou, Rong; Qiao, Yan; Wei, Wen-Long
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 19
• Pages of publication: 11956 - 11962
• a: 7.934 ± 0.003 Å
• b: 11.694 ± 0.005 Å
• c: 12.083 ± 0.004 Å
• α: 98.357 ± 0.007°
• β: 106.844 ± 0.002°
• γ: 104.871 ± 0.009°
• Cell volume: 1007.4 ± 0.7 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 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: 0.0437
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No