Information card for entry 1559307

Structure parameters

• Formula: C13 H22 O4
• Calculated formula: C13 H22 O4
• Title of publication: Forwards and backwards – synthesis of Laurencia natural products using a biomimetic and retrobiomimetic strategy incorporating structural reassignment of laurefurenynes C–F
• Authors of publication: Chan, Hau Sun Sam; Thompson, Amber L.; Christensen, Kirsten E.; Burton, Jonathan W.
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 5.9422 ± 0.0002 Å
• b: 7.602 ± 0.0002 Å
• c: 14.7513 ± 0.0004 Å
• α: 90°
• β: 101.005 ± 0.002°
• γ: 90°
• Cell volume: 654.1 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections: 0.1537
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0015
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No