Information card for entry 7156333

Structure parameters

• Formula: C23 H17 N3 O3
• Calculated formula: C23 H17 N3 O3
• Title of publication: CoCl₂-promoted TEMPO oxidative homocoupling of indoles: access to tryptanthrin derivatives.
• Authors of publication: Liao, Huiwu; Peng, Xiangjun; Hu, Dan; Xu, Xianyun; Huang, Panpan; Liu, Qian; Liu, Liangxian
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 31
• Pages of publication: 5699 - 5706
• a: 10.7906 ± 0.0006 Å
• b: 10.2626 ± 0.0005 Å
• c: 17.5715 ± 0.0009 Å
• α: 90°
• β: 102.945 ± 0.003°
• γ: 90°
• Cell volume: 1896.41 ± 0.17 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No