Information card for entry 1567230

Structure parameters

• Formula: C42 H74 Cl3 F0 N4 O8 S0 Sc
• Calculated formula: C42 H74 Cl3 N4 O8 Sc
• Title of publication: Asymmetric Synthesis of Chromanone Lactones via Vinylogous Conjugate Addition of Butenolide to 2-Ester Chromones
• Authors of publication: Li, Yi; Xin, Shuang; Weng, Rui; Liu, Xiaohua; Feng, Xiaoming
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 13.2602 ± 0.0004 Å
• b: 14.244 ± 0.0005 Å
• c: 25.4714 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4811 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 8
• 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: 0.0383
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No