Information card for entry 1571689

Structure parameters

• Formula: C26 H20 F N O2
• Calculated formula: C26 H20 F N O2
• SMILES: Fc1cc2c(cc1)N1[C@@H](Cc3c(c(oc3C)c3ccccc3)[C@@H]2O1)c1ccccc1
• Title of publication: Kinetic resolution of 1-(1-alkynyl)cyclopropyl ketones <i>via</i> gold-catalyzed divergent (4 + 4) cycloadditions: stereoselective access to furan fused eight-membered heterocycles.
• Authors of publication: Wang, Xunhua; Lv, Ruifeng; Li, Xiaoxun
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 24
• Pages of publication: 9361 - 9368
• a: 7.228 ± 0.002 Å
• b: 10.686 ± 0.003 Å
• c: 25.745 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1988.5 ± 1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.0303
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No