Information card for entry 7235236

Structure parameters

• Formula: C23 H19 N O
• Calculated formula: C23 H19 N O
• Title of publication: Metal-free graphene oxide-catalyzed aza-semipinacol rearrangement to prepare 2-(indol-2-yl)phenols and benzofuro[3,2-b]indolines containing quaternary carbon centers
• Authors of publication: Zhao, Hong-Ping; Liang, Gui-Chao; Nie, Shu-Min; Lu, Xiuqiang; Pan, Cheng-Xue; Zhong, Xin-Xian; Su, Gui-Fa; Mo, Dong-Liang
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 2
• Pages of publication: 404 - 410
• a: 12.012 ± 0.003 Å
• b: 9.465 ± 0.003 Å
• c: 15.801 ± 0.005 Å
• α: 90°
• β: 91.447 ± 0.005°
• γ: 90°
• Cell volume: 1795.9 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• 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: 0.075
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No