Information card for entry 7155956

Structure parameters

• Formula: C24 H14 Cl3 N3
• Calculated formula: C24 H14 Cl3 N3
• SMILES: Clc1c2c3c([nH]c2ccc1)c1c2c([nH]c1c(c3)c1c(Cl)cccc1N)cccc2Cl
• Title of publication: Regioselective synthesis of 2,3′-biindoles mediated by an NBS-induced homo-coupling of indoles
• Authors of publication: Liu, Liangxian; Huang, Panpan; Peng, Xiangjun; Hu, Dan; Liao, Huiwu; Tang, Shaobin
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 8.9064 ± 0.0008 Å
• b: 11.4166 ± 0.0009 Å
• c: 12.9485 ± 0.0012 Å
• α: 108.992 ± 0.005°
• β: 90.76 ± 0.005°
• γ: 104.392 ± 0.005°
• Cell volume: 1199.49 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.2677
• Weighted residual factors for all reflections included in the refinement: 0.2951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No