Information card for entry 7158546

Structure parameters

• Formula: C29 H25 N O
• Calculated formula: C29 H25 N O
• Title of publication: Synthesis of 1-Pyrroline Derivatives via Cyclization of Terminal Alkynes with 2-Azaallyls
• Authors of publication: Zi, Quan-Xing; Cong, Jielun; Li, Lun; Yin, Meng; Zhao, Jingfeng; Li, Liang; Yang, Xiaodong
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 19.0755 ± 0.0005 Å
• b: 10.8083 ± 0.0003 Å
• c: 10.4073 ± 0.0003 Å
• α: 90°
• β: 96.365 ± 0.001°
• γ: 90°
• Cell volume: 2132.49 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0419
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No