Information card for entry 1507033

Structure parameters

• Formula: C19 H30 O4
• Calculated formula: C19 H30 O4
• SMILES: [C@H]12CC(=O)[C@@H]3CC[C@@H](C)C[C@@]3(O)[C@]1(C)CCC[C@]2(C)C(=O)OC
• Title of publication: Studies toward the total synthesis of Wiedemannic acid.
• Authors of publication: Sauer, Effiette L. O.; Barriault, Louis
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 19
• Pages of publication: 3329 - 3332
• a: 10.9208 ± 0.0019 Å
• b: 19.911 ± 0.004 Å
• c: 7.9921 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1737.8 ± 0.6 ų
• Cell temperature: 206 ± 2 K
• Ambient diffraction temperature: 206 ± 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: 0.0887
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No