Information card for entry 4035627

Structure parameters

• Formula: C19 H14 N2
• Calculated formula: C19 H14 N2
• SMILES: c1cccc2c1cc(c1ccccc1)n2c1ccccn1
• Title of publication: Synthesis of 2-Arylindoles through Pd(II)-Catalyzed Cyclization of Anilines with Vinyl Azides.
• Authors of publication: Jie, Lianghua; Wang, Lianhui; Xiong, Dan; Yang, Zi; Zhao, Di; Cui, Xiuling
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 18
• Pages of publication: 10974 - 10984
• a: 12.6225 ± 0.0007 Å
• b: 11.0261 ± 0.0004 Å
• c: 11.4992 ± 0.0007 Å
• α: 90°
• β: 114.099 ± 0.007°
• γ: 90°
• Cell volume: 1460.93 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No