Information card for entry 7120262

Structure parameters

• Formula: C25 H19 N O
• Calculated formula: C25 H19 N O
• SMILES: O1c2nc(c3ccccc3)cc(c2CC1c1ccccc1)c1ccccc1
• Title of publication: Base-catalyzed cascade synthesis of 2,3-dihydrofuro- [2,3-b]pyridines and 2,3-dihydro-1H- pyrrolo[2,3-b]pyridines from N-propargylic β-enaminones
• Authors of publication: Hu, Fangzhong; Yang, Xiaobing; Wang, Yang; Yang, Chi Ming; Zou, Xiaomao; Liu , Jiahui; Zhang, Qichun
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 9.3863 ± 0.0016 Å
• b: 17.598 ± 0.003 Å
• c: 11.455 ± 0.002 Å
• α: 90°
• β: 106.32 ± 0.004°
• γ: 90°
• Cell volume: 1815.9 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No