Information card for entry 7158552

Structure parameters

• Formula: C15 H24 O2
• Calculated formula: C15 H24 O2
• SMILES: O=C(O)[C@]12CC[C@H]3C(C[C@@H]3[C@](C1)(CC2)C)(C)C
• Title of publication: Convergent Biomimetic Semisynthesis of Disesquiterpenoid Rumphellolide J
• Authors of publication: Stakanovs, Georgijs; Belyakov, Sergey; Jirgensons, Aigars; Rasina, Dace
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 9.17564 ± 0.00016 Å
• b: 15.1486 ± 0.0003 Å
• c: 16.0961 ± 0.0004 Å
• α: 102.879 ± 0.002°
• β: 100.413 ± 0.0017°
• γ: 102.046 ± 0.0016°
• Cell volume: 2071.52 ± 0.08 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1748
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No