Information card for entry 7118407

Structure parameters

• Formula: C16 H13 N
• Calculated formula: C16 H13 N
• SMILES: n12c3c(cccc3)c(c1CC2)c1ccccc1
• Title of publication: Substrate-controlled Rh(II)-catalyzed single-electron-transfer (SET): divergent synthesis of fused indoles
• Authors of publication: Kai Chen; Zi-Zhong Zhu; Jia-Xin Liu; Xiang-Ying Tang; Yin Wei; Min Shi
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 350
• a: 16.7246 ± 0.0015 Å
• b: 7.1468 ± 0.0007 Å
• c: 20.102 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2402.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No