Information card for entry 1562890

Structure parameters

• Formula: C15 H24 O6
• Calculated formula: C15 H24 O6
• SMILES: O[C@@H]1C([C@H]2[C@](CC1)([C@]1(O)C(=C[C@H]2O)COC1=O)C)(C)C.O
• Title of publication: Terpenoids from the Marine-Derived Fungus <i>Aspergillus</i> sp. RR-YLW-12, Associated with the Red Alga <i>Rhodomela confervoides</i>.
• Authors of publication: Fang, Sheng-Tao; Liu, Xiang-Hong; Yan, Bing-Fei; Miao, Feng-Ping; Yin, Xiu-Li; Li, Wen-Zuo; Ji, Nai-Yun
• Journal of publication: Journal of natural products
• Year of publication: 2021
• a: 7.5511 ± 0.0003 Å
• b: 14.0211 ± 0.0005 Å
• c: 7.6587 ± 0.0003 Å
• α: 90°
• β: 114.495 ± 0.001°
• γ: 90°
• Cell volume: 737.88 ± 0.05 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 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: 0.0282
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No