Information card for entry 7156146

Structure parameters

• Formula: C20 H18 N2 O
• Calculated formula: C20 H18 N2 O
• Title of publication: Regioselective construction of 1,3-diaryl tetrahydroindazolones via the three-component reaction of 1,3-cyclohexanediones, β-nitrostyrenes and arylhydrazines.
• Authors of publication: Wang, Ting; Qing, Xushun; Dai, Chenlu; Su, Zhenjie; Wang, Cunde
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 14
• Pages of publication: 2456 - 2463
• a: 11.586 ± 0.003 Å
• b: 15.822 ± 0.003 Å
• c: 8.7845 ± 0.0018 Å
• α: 90°
• β: 97.997 ± 0.008°
• γ: 90°
• Cell volume: 1594.7 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1739
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No