Information card for entry 7160865

Structure parameters

• Formula: C22 H26 O3
• Calculated formula: C22 H26 O3
• Title of publication: Biomimetic synthesis of <i>Sinularia</i> meroterpenoids and photochemical reactivity of capillobenzopyranol.
• Authors of publication: French, Sarah A.; Peralta, Ricardo A.; George, Jonathan H.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• a: 11.6017 ± 0.0008 Å
• b: 13.7639 ± 0.0006 Å
• c: 12.76 ± 0.0008 Å
• α: 90°
• β: 114.935 ± 0.008°
• γ: 90°
• Cell volume: 1847.6 ± 0.2 ų
• Cell temperature: 150 ± 0.14 K
• Ambient diffraction temperature: 150 ± 0.14 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No