Information card for entry 7134666

Structure parameters

• Formula: C32 H29 F O5
• Calculated formula: C32 H29 F O5
• Title of publication: Carbene-organocatalyzed enantioselective [5+5] annulation of dienols and dienals towards tetrahydroisochromen-1-ones.
• Authors of publication: Xu, Ke; Zhao, Jiayi; Lin, Kejun; Zhu, Tingshun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 57
• Pages of publication: 10602 - 10605
• a: 10.7735 ± 0.0002 Å
• b: 28.0445 ± 0.0005 Å
• c: 8.8667 ± 0.0002 Å
• α: 90°
• β: 104.427 ± 0.002°
• γ: 90°
• Cell volume: 2594.48 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No