Information card for entry 4036936

Structure parameters

• Formula: C20 H22 N2 O2 S
• Calculated formula: C20 H22 N2 O2 S
• Title of publication: Formal [3 + 2] Cycloadditions via Indole Activation: A Route to Pyrroloindolines and Furoindolines.
• Authors of publication: Wang, Ya-Ni; Li, Tian-Ren; Zhang, Mao-Mao; Cheng, Bei-Yi; Lu, Liang-Qiu; Xiao, Wen-Jing
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 21
• Pages of publication: 10491 - 10498
• a: 13.764 ± 0.003 Å
• b: 8.3813 ± 0.0018 Å
• c: 15.703 ± 0.003 Å
• α: 90°
• β: 95.075 ± 0.004°
• γ: 90°
• Cell volume: 1804.4 ± 0.7 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.1292
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.1757
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No