Information card for entry 1553337

Structure parameters

• Formula: C20 H26 O3
• Calculated formula: C20 H26 O3
• SMILES: O=C1C2=C(C[C@@H](C2)C)/C=C(\C(=O)C[C@@H]2[C@@]1(C(=O)CC2(C)C)C)C
• Title of publication: Antitumor Activity of Diterpenoids from Jatropha gossypiifolia: Cell Cycle Arrest and Apoptosis-Inducing Activity in RKO Colon Cancer Cells.
• Authors of publication: Zhang, Chun-Yan; Zhang, Li-Jun; Lu, Zhi-Cheng; Ma, Chen-Yun; Ye, Ying; Rahman, Khalid; Zhang, Hong; Zhu, Jian-Yong
• Journal of publication: Journal of natural products
• Year of publication: 2018
• Journal volume: 81
• Journal issue: 8
• Pages of publication: 1701 - 1710
• a: 6.6328 ± 0.0001 Å
• b: 11.7781 ± 0.0002 Å
• c: 22.7943 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1780.73 ± 0.06 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296.15 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: 0.0532
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No