Information card for entry 7134668

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: 10.51673 ± 0.0001 Å
• b: 11.3459 ± 0.0001 Å
• c: 22.2044 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2649.47 ± 0.04 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 4
• 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: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No