Information card for entry 7132426

Structure parameters

• Formula: C24 H23 N3 O
• Calculated formula: C24 H23 N3 O
• SMILES: O=C1CC(CC2Nc3n(nc(c3c3ccccc3)C)c3c(C1=2)cccc3)(C)C
• Title of publication: Rh(III)-catalyzed selective mono- and dual-functionalization/cyclization of 1-aryl-5-aminopyrazoles with iodonium ylides.
• Authors of publication: Chen, Longkun; Zhang, Mingshuai; Liu, Meichen; Liu, Zhuoyuan; Qiu, Yuetong; Zhang, Zhilai; Yu, Fuchao; Huang, Jiuzhong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 4
• Pages of publication: 432 - 435
• a: 6.459 ± 0.003 Å
• b: 26.872 ± 0.012 Å
• c: 13.342 ± 0.005 Å
• α: 90°
• β: 98.252 ± 0.009°
• γ: 90°
• Cell volume: 2291.7 ± 1.7 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.1607
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.1935
• Weighted residual factors for all reflections included in the refinement: 0.2423
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No