Information card for entry 1555946

Structure parameters

• Formula: C23 H39 O3
• Calculated formula: C23 H39 O3
• SMILES: O[C@@H]1CC[C@]2(O)[C@]3(CC[C@](C[C@@H]3C[C@H]2C(=O)C1(C)C)(C)C=C)C.C(CCC)CC
• Title of publication: Euphomilones A and B, ent-Rosane Diterpenoids with 7/5/6 and 5/7/6 Skeletons from Euphorbia milii.
• Authors of publication: Liu, Shao-Nan; Huang, Dane; Morris-Natschke, Susan L; Ma, Hang; Liu, Zhi-Hong; Seeram, Navindra P.; Xu, Jun; Lee, Kuo-Hsiung; Gu, Qiong
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 6132 - 6135
• a: 7.46386 ± 0.00006 Å
• b: 20.34874 ± 0.00017 Å
• c: 14.16918 ± 0.00013 Å
• α: 90°
• β: 92.7434 ± 0.0008°
• γ: 90°
• Cell volume: 2149.55 ± 0.03 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No