Information card for entry 7249350

Structure parameters

• Formula: C21 H18 F N O3
• Calculated formula: C21 H18 F N O3
• Title of publication: Electrochemically enabled dearomative [2 + 2] cycloadditions of indoles with alkynes to access cyclobutene-fused indolines
• Authors of publication: Zi, Jingjing; Tang, Huiling; Wang, Dongyin; Li, Meng; Zhou, Yuxiang; Lv, Sihui; Liang, Deqiang; Shi, Lou
• Journal of publication: Green Chemistry
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 20
• Pages of publication: 10397 - 10403
• a: 12.5984 ± 0.0006 Å
• b: 10.5934 ± 0.0005 Å
• c: 13.2326 ± 0.0006 Å
• α: 90°
• β: 108.318 ± 0.002°
• γ: 90°
• Cell volume: 1676.53 ± 0.14 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0362
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No