Information card for entry 4023028

Structure parameters

• Formula: C21 H32 O5
• Calculated formula: C21 H32 O5
• SMILES: O1C(=O)[C@@H](C(=O)[C@](O)(CC(=C[C@H](CC(=C)C=C([C@@H]1CC)C)C)C)CO)C
• Title of publication: A Total Synthesis of Galbonolide B
• Authors of publication: Philip J. Parsons; Lewis Pennicott; James Eshelby; Matthias Goessman; Adrian Highton; Peter Hitchcock
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 9387 - 9390
• a: 6.2709 ± 0.0004 Å
• b: 17.9596 ± 0.001 Å
• c: 18.5642 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2090.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0904
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.173
• Weighted residual factors for all reflections included in the refinement: 0.2048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No