Information card for entry 7159799

Structure parameters

• Formula: C29 H32 O8
• Calculated formula: C29 H32 O8
• Title of publication: Δ-Keto-acid/hydroxy-lactone isomerization in some lichen depsides, depsidones and diphenyl ethers.
• Authors of publication: Uriac, Philippe; Ferron, Solenn; Jehan, Philippe; Roisnel, Thierry; Tomasi, Sophie
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 11
• Pages of publication: 2264 - 2270
• a: 14.834 ± 0.0012 Å
• b: 12.7431 ± 0.0009 Å
• c: 27.038 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5111 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.1704
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.275
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No