Information card for entry 1548497

Structure parameters

• Common name: Sesquiterpene
• Formula: C17 H26 O4
• Calculated formula: C17 H26 O4
• SMILES: O[C@@]12[C@@H](O)[C@H](OC(=O)C)C(=C[C@@H]1[C@@H](CC[C@H]2C)C(=C)C)C
• Title of publication: Five New Cytotoxic Metabolites from the Marine Fungus Neosartorya pseudofischeri
• Authors of publication: Wen-Jian Lan; Sheng-Jiao Fu; Meng-Yang Xu; Wan-Ling Liang; Chi-Keung Lam; Guo-Hua Zhong; Jun Xu; De-Po Yang; Hou-Jin Li
• Journal of publication: Marine Drugs
• Year of publication: 2016
• Journal volume: 14
• Pages of publication: 18
• a: 8.3364 ± 0.0001 Å
• b: 9.3709 ± 0.0002 Å
• c: 21.315 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1665.12 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0349
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No