Information card for entry 4037228

Structure parameters

• Formula: C18 H15 N
• Calculated formula: C18 H15 N
• Title of publication: Base-Promoted Intermolecular Cyclization of Substituted 3-Aryl(Heteroaryl)-3-chloroacrylaldehydes and Tetrahydroisoquinolines: An Approach to Access Pyrrolo[2,1-a]isoquinolines.
• Authors of publication: Yang, Ziqi; Lu, Ning; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Duan, Haifeng; Lin, Yingjie
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 23
• Pages of publication: 11950 - 11955
• a: 14.4232 ± 0.0008 Å
• b: 10.4715 ± 0.0007 Å
• c: 17.3666 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2622.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No