Information card for entry 7158362

Structure parameters

• Formula: C26 H28 O4
• Calculated formula: C26 H28 O4
• Title of publication: Total syntheses of (+)-adunctins C and D: assignment of their absolute configurations.
• Authors of publication: Xiao, Jian; Zhao, Jun; Wang, Ya-Wen; Luo, Gan; Peng, Yu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 45
• Pages of publication: 9840 - 9843
• a: 20.8005 ± 0.0006 Å
• b: 5.76195 ± 0.00016 Å
• c: 37.1847 ± 0.0013 Å
• α: 90°
• β: 98.257 ± 0.003°
• γ: 90°
• Cell volume: 4410.4 ± 0.2 ų
• Cell temperature: 293.32 ± 0.1 K
• Ambient diffraction temperature: 293.32 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No