Information card for entry 1555541

Structure parameters

• Formula: C20 H27 O3.5
• Calculated formula: C20 H26 O3.5
• SMILES: O.C1(=O)C=C([C@@H]2C=C([C@@H]([C@H]3[C@@H]4C([C@@H]4C[C@H](C(=O)[C@@]123)C)(C)C)O)C)C
• 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: 19.7536 ± 0.0013 Å
• b: 19.7536 ± 0.0013 Å
• c: 9.0366 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3526.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.2215
• Weighted residual factors for all reflections included in the refinement: 0.2266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No