Information card for entry 1555542

Structure parameters

• Formula: C20 H26 O3
• Calculated formula: C20 H26 O3
• SMILES: O=C1[C@H]2[C@]3([C@](O)(C[C@@H]4C(C)([C@@H]4C[C@@H](C)C3=O)C)C(=C2)C)C=C1C
• Title of publication: Three Minor Diterpenoids with Three Carbon Skeletons from Euphorbia peplus.
• Authors of publication: Wan, Luo-Sheng; Nian, Yin; Ye, Chen-Jun; Shao, Li-Dong; Peng, Xing-Rong; Geng, Chang-An; Zuo, Zhi-Li; Li, Xiao-Nian; Yang, Jian; Zhou, Ming; Qiu, Ming-Hua
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 9
• Pages of publication: 2166 - 2169
• a: 9.7169 ± 0.0002 Å
• b: 10.1381 ± 0.0002 Å
• c: 17.5286 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1726.76 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0296
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No