Information card for entry 7160338

Structure parameters

• Formula: C20 H32 O4
• Calculated formula: C20 H32 O4
• Title of publication: High-yielding total synthesis of embelin, rapanone, and irisoquin A, D, F.
• Authors of publication: Ashok, Etikala; Lakshmi, Pandhiti R.; Sanwal, Shyam D.; Ramachary, Dhevalapally B.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 9
• Pages of publication: 2195 - 2205
• a: 5.1617 ± 0.0001 Å
• b: 9.9928 ± 0.0003 Å
• c: 19.9937 ± 0.0005 Å
• α: 86.035 ± 0.002°
• β: 83.345 ± 0.002°
• γ: 80.582 ± 0.002°
• Cell volume: 1009.19 ± 0.04 ų
• Cell temperature: 299 K
• Ambient diffraction temperature: 299 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1136
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.2025
• Weighted residual factors for all reflections included in the refinement: 0.2476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No