Information card for entry 7132741

Structure parameters

• Formula: C26 H28 N4
• Calculated formula: C26 H28 N4
• SMILES: N(=C1/N(C2=Nc3c(C2=C1C#Cc1c(N)cccc1)cccc3)C(C)(C)C)\C(C)(C)C
• Title of publication: Palladium-catalyzed ligand-regulated divergent synthesis of pyrrole[2,3-<i>b</i>]indoles and ureas from 2-ethynylanilines and isocyanides.
• Authors of publication: Zhang, Min; Zheng, Yongpeng; Jin, Yangbin; Jiang, Huanfeng; Wu, Wanqing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 21
• Pages of publication: 2950 - 2953
• a: 15.2301 ± 0.0004 Å
• b: 10.2357 ± 0.0003 Å
• c: 28.4109 ± 0.0008 Å
• α: 90°
• β: 95.828 ± 0.001°
• γ: 90°
• Cell volume: 4406.1 ± 0.2 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No