Information card for entry 7135684

Structure parameters

• Formula: C26 H26 N2 O6 S2
• Calculated formula: C26 H26 N2 O6 S2
• Title of publication: Phosphine-catalyzed sequential [4+1]/[2+3] annulation of <i>o</i>-amino arylaldimines with Morita-Baylis-Hillman (MBH) carbonates.
• Authors of publication: Hu, Xianfei; Qu, Xiaoxiao; Li, Zhiyue; Wang, Lishuang; Yao, Hui; Li, Linxuan; Cao, Zhong-Yan; Huang, Nianyu; Wang, Nengzhong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 31
• Pages of publication: 8013 - 8017
• a: 9.2302 ± 0.0003 Å
• b: 25.9843 ± 0.0008 Å
• c: 10.4917 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2516.33 ± 0.13 ų
• Cell temperature: 169.99 ± 0.1 K
• Ambient diffraction temperature: 169.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No