Information card for entry 7250390

Structure parameters

• Formula: C26 H24 Cl3 N3
• Calculated formula: C26 H24 Cl3 N3
• Title of publication: Visible-light-induced selenium-mediated cascade cyclization of 2-isocyanobenzonitriles with secondary amines to access indole-fused polycyclics
• Authors of publication: Xu, Dongping; Jin, Lizhen; Huang, Mengya; Zhang, Wu
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 23
• Pages of publication: 6880 - 6886
• a: 13.095 ± 0.003 Å
• b: 13.262 ± 0.003 Å
• c: 14.744 ± 0.003 Å
• α: 90°
• β: 104.812 ± 0.003°
• γ: 90°
• Cell volume: 2475.4 ± 0.9 ų
• Cell temperature: 297.15 K
• Ambient diffraction temperature: 297.15 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: 0.1304
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No