Information card for entry 1571889

Structure parameters

• Formula: C29 H28 O4
• Calculated formula: C29 H28 O4
• Title of publication: Catalytic asymmetric intramolecular propargylation of cyclopropanols to access the cuparane core.
• Authors of publication: Zhao, Yankun; Yan, Hongya; Zhang, Yulian; Zhou, Tao; Tian, Mengxing; Zhang, Chongzhou; Yuan, Shan; Qiu, Hanyue; He, Ling; Zhang, Min
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 28
• Pages of publication: 10963 - 10968
• a: 12.4747 ± 0.0004 Å
• b: 6.5828 ± 0.0001 Å
• c: 15.4889 ± 0.0004 Å
• α: 90°
• β: 110.054 ± 0.003°
• γ: 90°
• Cell volume: 1194.81 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No