Information card for entry 1575946

Structure parameters

• Formula: C19 H12 O2
• Calculated formula: C19 H12 O2
• Title of publication: Enantioselective lactonization catalyzed by chiral N-heterocyclic carbenes enables access to inherently chiral eight-membered lactones.
• Authors of publication: Dočekal, Vojtěch; Kurčina, Adam; Císařová, Ivana; Veselý, Jan
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 37
• Pages of publication: 17369 - 17373
• a: 16.6502 ± 0.0007 Å
• b: 7.3452 ± 0.0003 Å
• c: 21.915 ± 0.0009 Å
• α: 90°
• β: 97.814 ± 0.001°
• γ: 90°
• Cell volume: 2655.3 ± 0.19 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No