Information card for entry 7157993

Structure parameters

• Formula: C23 H23 N5 O4 S
• Calculated formula: C23 H23 N5 O4 S
• Title of publication: NIS-promoted three-component reaction of 3-oxo-3-arylpropanenitriles with arylsulfonyl hydrazides.
• Authors of publication: Wei, Yueting; Liu, Ping; Liu, Yali; He, Jing; Li, Xuezhen; Li, Shiwu; Zhao, Jixing
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 3932 - 3939
• a: 7.1506 ± 0.0002 Å
• b: 10.5088 ± 0.0003 Å
• c: 15.9913 ± 0.0004 Å
• α: 102.89 ± 0.001°
• β: 98.917 ± 0.001°
• γ: 106.16 ± 0.001°
• Cell volume: 1094.43 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No