Information card for entry 7156332

Structure parameters

• Formula: C28 H23 Cl2 N3 O2
• Calculated formula: C28 H23 Cl2 N3 O2
• 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: 9.1731 ± 0.0009 Å
• b: 12.2931 ± 0.0011 Å
• c: 12.4614 ± 0.0012 Å
• α: 64.335 ± 0.002°
• β: 84.712 ± 0.003°
• γ: 79.181 ± 0.003°
• Cell volume: 1244 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1478
• Residual factor for significantly intense reflections: 0.0889
• Weighted residual factors for significantly intense reflections: 0.2313
• Weighted residual factors for all reflections included in the refinement: 0.2641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No