Information card for entry 7158550

Structure parameters

• Formula: C22 H29 N O5
• Calculated formula: C22 H29 N O5
• 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: 5.9706 ± 0.0008 Å
• b: 8.0539 ± 0.0008 Å
• c: 42.817 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2058.9 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.098
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1769
• Weighted residual factors for all reflections included in the refinement: 0.1965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No