Information card for entry 4034294

Structure parameters

• Formula: C25 H19 N O3
• Calculated formula: C25 H19 N O3
• SMILES: [O-]/C(=C(/C=C(/C(=O)c1ccccc1O)C#Cc1ccccc1)[n+]1ccccc1)C
• Title of publication: Base-Promoted Cascade Reactions of 3-(1-Alkynyl)chromones with Pyridinium Ylides to Chromeno[2,3- d]azepine Derivatives.
• Authors of publication: Zhang, Yu-Fang; Duan, Wen-Di; Chen, Jingjing; Hu, Youhong
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 7
• Pages of publication: 4467 - 4472
• a: 5.725 ± 0.004 Å
• b: 16.2 ± 0.012 Å
• c: 20.626 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1913 ± 2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1717
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.2134
• Weighted residual factors for all reflections included in the refinement: 0.2746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No