Information card for entry 1555947

Structure parameters

• Formula: C20 H32 O3
• Calculated formula: C20 H32 O3
• SMILES: O[C@@]12CC[C@H]3C[C@](CC[C@]3(C)[C@]32OC[C@@]1([C@@H](O)CC3)C)(C=C)C
• 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: 7.4778 ± 0.00004 Å
• b: 9.96312 ± 0.00006 Å
• c: 24.19049 ± 0.00016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1802.24 ± 0.019 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 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: 0.0334
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0891
• 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: No
• Has Fobs: No