Information card for entry 1559304

Structure parameters

• Formula: C15 H22 O4
• Calculated formula: C15 H22 O4
• SMILES: C#C/C=C/C[C@H]1[C@@H]2C[C@@H]([C@H](C[C@H]([C@@H](CC)O2)O)O)O1
• 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: 5.8853 ± 0.0002 Å
• b: 7.6219 ± 0.0002 Å
• c: 16.1377 ± 0.0004 Å
• α: 90°
• β: 97.424 ± 0.003°
• γ: 90°
• Cell volume: 717.82 ± 0.04 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: 0.0458
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections: 0.1175
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0016
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No