Information card for entry 7118408

Structure parameters

• Formula: C19 H17 N O
• Calculated formula: C19 H17 N O
• SMILES: N1=C2C(c3c1cccc3)(CCCCC2=O)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: 9.2535 ± 0.0019 Å
• b: 14.994 ± 0.003 Å
• c: 10.714 ± 0.002 Å
• α: 90°
• β: 101.697 ± 0.004°
• γ: 90°
• Cell volume: 1455.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0798
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No