Information card for entry 7158667

Structure parameters

• Formula: C20 H30 O5
• Calculated formula: C20 H30 O5
• Title of publication: Neocucurbins A-G, novel macrocyclic diterpenes and their derivatives from Neocucurbitaria unguis-hominis FS685
• Authors of publication: Hu, Jinhua; Zhang, Wenge; Tan, Haibo; Li, Saini; Gao, Xiaoxia; Liu, Zhaoming; Wang, Yanlin; Liu, Hong-Xin; Zhang, Weimin
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 8.1752 ± 0.0001 Å
• b: 10.1853 ± 0.0001 Å
• c: 22.075 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1838.12 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0289
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No