Information card for entry 7124959

Structure parameters

• Formula: C19 H22 N2 O2 S
• Calculated formula: C19 H22 N2 O2 S
• Title of publication: A visible-light photocatalytic N-radical cascade of hydrazones for the synthesis of dihydropyrazole-fused benzosultams.
• Authors of publication: Zhao, Quan-Qing; Hu, Xiao-Qiang; Yang, Meng-Nan; Chen, Jia-Rong; Xiao, Wen-Jing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 86
• Pages of publication: 12749 - 12752
• a: 9.5967 ± 0.001 Å
• b: 9.265 ± 0.0008 Å
• c: 10.1709 ± 0.001 Å
• α: 90°
• β: 102.244 ± 0.003°
• γ: 90°
• Cell volume: 883.76 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.076
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No