Information card for entry 1512385

Structure parameters

• Formula: C20 H28 O5
• Calculated formula: C20 H28 O5
• SMILES: O=C(O[C@@H]1CC[C@]2([C@H]([C@@]1(O)C)Cc1c(occ1C)C2)C)[C@]1(O[C@H]1C)C
• Title of publication: Induced Furoeudesmanes: A Defense Mechanism Against Stress in Laggera pterodonta , a Chinese Herbal Plant.
• Authors of publication: Liu, Ya-Ping; Lai, Ren; Yao, Yong-Gang; Zhang, Zhong-Kai; Pu, En-Tang; Cai, Xiang-Hai; Luo, Xiao-Dong
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 4940 - 4943
• a: 7.3794 ± 0.001 Å
• b: 12.184 ± 0.0016 Å
• c: 21.074 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1894.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1189
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No