Information card for entry 1553618

Structure parameters

• Formula: C17 H17 N O4
• Calculated formula: C17 H17 N O4
• SMILES: c1(cc2c(cccc2/C=C/C(=O)OC)n1C)/C=C/C(=O)OC
• Title of publication: One-pot synthesis of fluorescent 2,4-dialkenylindoles by rhodium-catalyzed dual C‒H functionalization
• Authors of publication: Chen, Hui; Lin, Cong; Xiong, Chunhua; Liu, Zhanxiang; Zhang, Yuhong
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 455
• a: 5.7832 ± 0.0006 Å
• b: 10.4921 ± 0.0011 Å
• c: 12.3215 ± 0.0012 Å
• α: 90.576 ± 0.003°
• β: 97.913 ± 0.002°
• γ: 93.157 ± 0.003°
• Cell volume: 739.28 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1123
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No