Information card for entry 1559306

Structure parameters

• Formula: C15 H21 Br O3
• Calculated formula: C15 H21 Br O3
• 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: 8.3606 ± 0.0003 Å
• b: 13.1527 ± 0.0007 Å
• c: 14.3775 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1581.01 ± 0.15 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections: 0.1267
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0121
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No