Information card for entry 1504187

Structure parameters

• Formula: C17 H20 O5
• Calculated formula: C17 H20 O5
• SMILES: O=C1O[C@H](OC)C2=C[C@H]3OC(=O)[C@@]4(C)CCC[C@@]([C@@H]34)(C2=C1)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: 18.1525 ± 0.0004 Å
• b: 7.6684 ± 0.0002 Å
• c: 12.0226 ± 0.0002 Å
• α: 90°
• β: 101.178 ± 0.001°
• γ: 90°
• Cell volume: 1641.81 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No