Information card for entry 7134268

Structure parameters

• Formula: C29 H24 N2 O3 S2 Se
• Calculated formula: C29 H24 N2 O3 S2 Se
• Title of publication: Photochemical aerobic sulfonylation-cyclization-selenylation to indole-fused medium-sized N-heterocycles in 2-Me-THF.
• Authors of publication: Shi, Tongtong; Tian, Miao; Sun, Zongfei; Zou, Ruixiao; Zhang, Zexuan; Xie, Na; Hao, Erjun; Xu, Xinming; Sun, Kai
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 20
• Pages of publication: 4066 - 4069
• a: 8.5751 ± 0.0004 Å
• b: 15.3208 ± 0.0007 Å
• c: 20.3759 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2676.9 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.0928
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.2245
• Weighted residual factors for all reflections included in the refinement: 0.2428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No