Information card for entry 7245206

Structure parameters

• Formula: C31 H23 N O2
• Calculated formula: C31 H23 N O2
• SMILES: O=c1n(C)c2ccccc2c2OC(C=C(c12)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of pyrano[3,2-c]quinolones and furo[3,2-c]quinolones via acid-catalyzed tandem reaction of 4-hydroxy-1-methylquinolin-2(1H)-one and propargylic alcohols
• Authors of publication: Yin, Haiting; Wu, Yunjun; Gu, Xiaoxia; Feng, Zhijun; Wang, Meifang; Feng, Dexiang; Wang, Ming; Cheng, Ziyang; Wang, Shaoyin
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 33
• Pages of publication: 21066 - 21078
• a: 10.1008 ± 0.0011 Å
• b: 23.219 ± 0.003 Å
• c: 10.2424 ± 0.0009 Å
• α: 90°
• β: 108.434 ± 0.004°
• γ: 90°
• Cell volume: 2278.9 ± 0.4 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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: 0.0744
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No