Information card for entry 7250389

Structure parameters

• Formula: C30 H26 N6 Se2
• Calculated formula: C30 H26 N6 Se2
• 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: 18.961 ± 0.003 Å
• b: 9.692 ± 0.0017 Å
• c: 16.557 ± 0.003 Å
• α: 90°
• β: 113.01 ± 0.003°
• γ: 90°
• Cell volume: 2800.6 ± 0.8 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 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: 0.0724
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No