Information card for entry 1504191

Structure parameters

• Formula: C17 H20 O6
• Calculated formula: C17 H20 O6
• SMILES: O=C1O[C@H]2[C@H]3[C@]1(C)CCC[C@@]3(C1=CC(=O)O[C@H](OC)[C@@]31O[C@H]23)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: 6.1894 ± 0.0001 Å
• b: 8.9465 ± 0.0002 Å
• c: 28.8255 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1596.17 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.037
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No