Information card for entry 4034382

Structure parameters

• Formula: C26 H34 O6
• Calculated formula: C26 H34 O6
• Title of publication: Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Radical Anion Cascade Triene Cyclization: Biomimetic Total Syntheses of Austalide Natural Products.
• Authors of publication: Ma, Tsz-Kan; Parsons, Philip J.; Barrett, Anthony G. M.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 9
• Pages of publication: 4961 - 4970
• a: 12.0357 ± 0.0002 Å
• b: 18.1671 ± 0.0004 Å
• c: 21.3736 ± 0.0004 Å
• α: 90°
• β: 91.8761 ± 0.0016°
• γ: 90°
• Cell volume: 4670.91 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No