Information card for entry 7157635

Structure parameters

• Formula: C9 H9 N O2
• Calculated formula: C9 H9 N O2
• Title of publication: Oxidative trimerization of indoles via water-assisted visible-light photoredox catalysis and the study of their anti-cancer activities.
• Authors of publication: Cheng, Li-Ting; Luo, Sheng-Qi; Hong, Bor-Cherng; Chen, Chia-Ling; Li, Wen-Shan; Lee, Gene-Hsiang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 32
• Pages of publication: 6247 - 6252
• a: 14.1319 ± 0.0005 Å
• b: 3.8682 ± 0.0001 Å
• c: 15.5153 ± 0.0005 Å
• α: 90°
• β: 110.946 ± 0.001°
• γ: 90°
• Cell volume: 792.1 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No