Information card for entry 1558528

Structure parameters

• Formula: C19.5 H28 O3.5
• Calculated formula: C19.5 H28 O3.5
• SMILES: O[C@@H]1CC[C@@]2([C@@H]([C@]31OC3)CC[C@]13[C@H]2CC[C@H](C1)C(=C)C3=O)C.OC
• Title of publication: Amentotaxins C-V, Structurally Diverse Diterpenoids from the Leaves and Twigs of the Vulnerable Conifer <i>Amentotaxus argotaenia</i> and Their Cytotoxic Effects.
• Authors of publication: Li, Hao; Liang, Yu-Ru; Chen, Shao-Xin; Wang, Wen-Xuan; Zou, Yike; Nuryyeva, Selbi; Houk, K. N.; Xiong, Juan; Hu, Jin-Feng
• Journal of publication: Journal of natural products
• Year of publication: 2020
• Journal volume: 83
• Journal issue: 7
• Pages of publication: 2129 - 2144
• a: 6.7321 ± 0.0003 Å
• b: 13.4089 ± 0.0006 Å
• c: 37.6911 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3402.4 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0544
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No