Information card for entry 7120145

Structure parameters

• Formula: C18 H17 N O2
• Calculated formula: C18 H17 N O2
• SMILES: O(C(=O)c1c2c(n(c1C)CC)cccc2)c1ccccc1
• Title of publication: Radical-carbene coupling reaction: Mn-catalyzed synthesis of indoles from aromatic amines and diazo compounds.
• Authors of publication: Li, Huihuang; Zhao, Yanwei; Ma, Liang; Ma, Meihua; Jiang, Jun; Wan, Xiaobing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• a: 7.265 ± 0.0003 Å
• b: 8.277 ± 0.0005 Å
• c: 24.8418 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1493.8 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No