Information card for entry 7134663

Structure parameters

• Formula: C32 H29 N O7
• Calculated formula: C32 H29 N O7
• 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: 10.3074 ± 0.0003 Å
• b: 10.562 ± 0.0004 Å
• c: 12.7619 ± 0.0004 Å
• α: 102.425 ± 0.003°
• β: 99.324 ± 0.003°
• γ: 101.043 ± 0.003°
• Cell volume: 1301.4 ± 0.08 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No