Information card for entry 7130146

Structure parameters

• Formula: C17 H15 N O3
• Calculated formula: C17 H15 N O3
• Title of publication: Anodic dearomatization of 2-alkynylanilines for the synthesis of multi-functionalized indoles
• Authors of publication: Chen, Zhuowen; He, Qiuqin; Guo, Hao; Fan, Renhua
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 17.0936 ± 0.0009 Å
• b: 9.1661 ± 0.0005 Å
• c: 9.2363 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1447.16 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No