Information card for entry 7246322

Structure parameters

• Formula: C8 H8 N8 O0.25 S8 Se8
• Calculated formula: C27 H21 N O2 S Se
• Title of publication: Regioselective intramolecular cyclization of o-alkynyl arylamines with the in situ formation of ArXCl to construct poly-functionalized 3-selenylindoles
• Authors of publication: Yu, Minhui; Jin, Tao; Wang, Xiaohua; Li, Haohu; Ji, Decai; Yao, Jinzhong; Zeng, Heyang; Shi, Senlei; Xu, Kaimeng; Zhang, Lianpeng
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 6210 - 6216
• a: 5.942 ± 0.0004 Å
• b: 18.6317 ± 0.0017 Å
• c: 20.5632 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2276.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No