Information card for entry 1518633

Structure parameters

• Formula: C24 H17 N O
• Calculated formula: C24 H17 N O
• SMILES: O=C(c1ncc(c2ccccc2)cc1c1ccccc1)c1ccccc1
• Title of publication: Cu-Catalyzed Concise Synthesis of Pyridines and 2-(1H)-Pyridones from Acetaldehydes and Simple Nitrogen Donors.
• Authors of publication: Li, Ziyuan; Huang, Xiaoqiang; Chen, Feng; Zhang, Chun; Wang, Xiaoyang; Jiao, Ning
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 3
• Pages of publication: 584 - 587
• a: 9.5489 ± 0.0005 Å
• b: 9.6991 ± 0.0005 Å
• c: 19.1473 ± 0.001 Å
• α: 90°
• β: 97.465 ± 0.002°
• γ: 90°
• Cell volume: 1758.31 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No