Information card for entry 1504193

Structure parameters

• Formula: C17 H20 O6
• Calculated formula: C17 H20 O6
• SMILES: O1[C@@H]2[C@H]3OC(=O)[C@@]4(C)CCC[C@@]([C@@H]34)(C3=CC(=O)O[C@@H](OC)[C@@]123)C
• Title of publication: Total synthesis of oidiodendrolides and related norditerpene dilactones from a common precursor: metabolites CJ-14,445, LL-Z1271gamma, oidiolactones A, B, C, and D, and nagilactone F.
• Authors of publication: Hanessian, Stephen; Boyer, Nicolas; Reddy, Gone Jayapal; Deschênes-Simard, Benoît
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 20
• Pages of publication: 4640 - 4643
• a: 11.0321 ± 0.0002 Å
• b: 11.6526 ± 0.0003 Å
• c: 11.9913 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1541.51 ± 0.07 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 175 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: 0.0381
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No