Information card for entry 1573797

Structure parameters

• Formula: C36 H32 Cl2 N2 O4
• Calculated formula: C36 H32 Cl2 N2 O4
• Title of publication: One-pot Nazarov cyclization/oxidative 1,2-carbon rearrangement/Ritter reaction to access 5-quaternary-4-amidocyclopent-2-enones and 2-quaternary-3-amidoindanones.
• Authors of publication: Hu, Yue-Hong; Chen, Yu-Ting; He, Zhi-Juan; Gan, Zhang-Yan; Zhang, Ling-Hui; Xi, Wen-Jie; Li, Baosheng; Zhang, Fu-Min
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 18
• Pages of publication: 3720 - 3723
• a: 9.7449 ± 0.0001 Å
• b: 12.6197 ± 0.0003 Å
• c: 12.8104 ± 0.0002 Å
• α: 90°
• β: 91.761 ± 0.002°
• γ: 90°
• Cell volume: 1574.65 ± 0.05 ų
• Cell temperature: 301.46 ± 0.1 K
• Ambient diffraction temperature: 301.46 ± 0.1 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: 0.0513
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No