Information card for entry 4133871

Structure parameters

• Formula: C28 H42 O3
• Calculated formula: C28 H42 O3
• SMILES: [C@]12([C@@H]([C@H](C)/C=C/[C@@H](C(C)C)C)CCC(=O)[C@@]31[C@@H]([C@@]1([C@@H](CC(=O)CC1)C(=O)C3)C)CC2)C
• Title of publication: Synthesis of Swinhoeisterol A, Dankasterone A and B, and Periconiastone A by Radical Framework Reconstruction.
• Authors of publication: Duecker, Fenja L.; Heinze, Robert C.; Heretsch, Philipp
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 11.238 Å
• b: 11.741 Å
• c: 18.649 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2460.65 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.04 K
• Number of distinct elements: 3
• 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: 0.0563
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No