Information card for entry 1553839

Structure parameters

• Formula: C15 H17 F N2 O2
• Calculated formula: C15 H17 F N2 O2
• SMILES: c1(cccc2c1n(c(c2C(=O)OCC)C)N=C(C)C)F
• Title of publication: Facile synthesis of 1-aminoindoles via Rh(iii)-catalysed intramolecular three-component annulation
• Authors of publication: Yang, Zi; Lin, Xing; Wang, Lianhui; Cui, Xiuling
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 11
• Pages of publication: 2179
• a: 9.5214 ± 0.0008 Å
• b: 9.6784 ± 0.0008 Å
• c: 9.8861 ± 0.0008 Å
• α: 114.205 ± 0.008°
• β: 92.568 ± 0.007°
• γ: 116.743 ± 0.008°
• Cell volume: 712.04 ± 0.14 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: 0.044
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No