Information card for entry 1543365

Structure parameters

• Formula: C20 H26 O3
• Calculated formula: C20 H26 O3
• SMILES: O1[C@]23[C@H]4C(=C[C@H]2[C@@H](C[C@H]2C([C@H]2[C@@H]3C=C([C@]4(O)C1=O)C)(C)C)C)C
• Title of publication: Euphorikanin A, a Diterpenoid Lactone with a Fused 5/6/7/3 Ring System from Euphorbia kansui.
• Authors of publication: Fei, Dong-Qing; Dong, Le-Le; Qi, Feng-Ming; Fan, Gai-Xia; Li, Hui-Hong; Li, Zheng-Yu; Zhang, Zhan-Xin
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 12
• Pages of publication: 2844 - 2847
• a: 6.66247 ± 0.00009 Å
• b: 16.2362 ± 0.0002 Å
• c: 16.4824 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1782.95 ± 0.05 ų
• Cell temperature: 293.7 ± 0.3 K
• Ambient diffraction temperature: 293.7 ± 0.3 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: 0.0447
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No