Information card for entry 1558897

Structure parameters

• Formula: C20 H34 O4
• Calculated formula: C20 H34 O4
• SMILES: O[C@@H]1C[C@@H](O)[C@]2(C1(C)C)CC[C@@H]1[C@](C2=O)(C)CC[C@](C1)(C)C=C.O
• Title of publication: Euphnerins A and B, Diterpenoids with a 5/6/6 Rearranged Spirocyclic Carbon Skeleton from the Stems of <i>Euphorbia neriifolia</i>.
• Authors of publication: Du, Min; An, Lijun; Xu, Jing; Guo, Yuanqiang
• Journal of publication: Journal of natural products
• Year of publication: 2020
• a: 8.48738 ± 0.00006 Å
• b: 8.60757 ± 0.00006 Å
• c: 25.91521 ± 0.00018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1893.25 ± 0.02 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: 0.0282
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No