Information card for entry 7135588

Structure parameters

• Formula: C16 H12 N2 O
• Calculated formula: C16 H12 N2 O
• Title of publication: Desulfonylcyanamidation of α,β-unsaturated sulfones with <i>N</i>-tosyl <i>N</i>-aryl cyanamides (NCTS): access to <i>N</i>-cyanoenaminones.
• Authors of publication: Guo, Chengxian; Xing, Qiaoyan; Xie, Hongding; Liu, Jiamiao; Li, Jiahui; Zhang, Junliang; Wang, Huamin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 25
• Pages of publication: 6768 - 6772
• a: 10.9912 ± 0.0004 Å
• b: 7.7964 ± 0.0003 Å
• c: 29.0779 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2491.74 ± 0.16 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No