Information card for entry 7159327

Structure parameters

• Formula: C25 H21 N3 O2 S
• Calculated formula: C25 H21 N3 O2 S
• Title of publication: One-pot synthesis of 4-(imidazol-1-yl)indole derivatives through a sequential dearomatization and Ag-catalyzed cyclization/Cs₂CO₃-mediated addition/aromatization reaction.
• Authors of publication: Huang, Chaoman; Jin, Zefeng; Zhang, Bei; Zhou, Yuanyuan; Lin, Huiting; Kang, Honglan; Shen, Guodong; Lv, Xin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 20
• Pages of publication: 4245 - 4256
• a: 7.6654 ± 0.0006 Å
• b: 23.1002 ± 0.0014 Å
• c: 12.1164 ± 0.0009 Å
• α: 90°
• β: 98.245 ± 0.002°
• γ: 90°
• Cell volume: 2123.3 ± 0.3 ų
• Cell temperature: 152 K
• Ambient diffraction temperature: 152 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No