Information card for entry 7161020

Structure parameters

• Formula: C32 H26 Cl6 N4 O2
• Calculated formula: C32 H26 Cl6 N4 O2
• Title of publication: Catalytic asymmetric 1,6-type Friedel-Crafts (hetero)arylations of δ-cyano substituted <i>para</i>-quinone methides with 5-aminopyrazoles.
• Authors of publication: Zhao, Shi-Na; Song, Hui-Qiao; Hu, Yi; Gao, Fen; He, Yonghui; Zhao, Xiao-Jing
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 4
• Pages of publication: 805 - 810
• a: 11.5859 ± 0.0002 Å
• b: 16.1437 ± 0.0004 Å
• c: 17.9952 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3365.81 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0668
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1801
• Weighted residual factors for all reflections included in the refinement: 0.1825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No