Information card for entry 4038860

Structure parameters

• Formula: C22 H28 N O6.5
• Calculated formula: C22 H28 N O6.5
• Title of publication: Synthesis of Flavonols via Pyrrolidine Catalysis: Origins of the Selectivity for Flavonol versus Aurone.
• Authors of publication: Xiong, Wei; Wang, Xiaohong; Shen, Xianyan; Hu, Cuifang; Wang, Xin; Wang, Fei; Zhang, Guolin; Wang, Chun
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 22.801 ± 0.005 Å
• b: 17.372 ± 0.004 Å
• c: 13.239 ± 0.003 Å
• α: 90°
• β: 94.494 ± 0.007°
• γ: 90°
• Cell volume: 5228 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.2012
• Weighted residual factors for all reflections included in the refinement: 0.2102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No