Information card for entry 1553384

Structure parameters

• Formula: C20 H32 O5
• Calculated formula: C20 H32 O5
• SMILES: O=C1C[C@@]2([C@@H](C([C@@H]1O)(C)C)CC=C1[C@H]2[C@@H](O)[C@@H](O)[C@](C1)(C=C)C)C.O
• Title of publication: Phytotoxic ent-Isopimarane-Type Diterpenoids from Euphorbia hylonoma.
• Authors of publication: Wei, Wen-Jun; Song, Qiu-Yan; Zheng, Zai-Qin; Yao, Xiaojun; Li, Ya; Gao, Kun
• Journal of publication: Journal of natural products
• Year of publication: 2018
• Journal volume: 81
• Journal issue: 11
• Pages of publication: 2381 - 2391
• a: 11.0078 ± 0.0009 Å
• b: 6.8749 ± 0.0008 Å
• c: 12.6547 ± 0.0012 Å
• α: 90°
• β: 98.677 ± 0.008°
• γ: 90°
• Cell volume: 946.72 ± 0.16 ų
• Cell temperature: 296.56 ± 0.1 K
• Ambient diffraction temperature: 296.56 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1126
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No