Information card for entry 1540526

Structure parameters

• Formula: C17 H24 O5
• Calculated formula: C17 H24 O5
• SMILES: O1C2=C(C(=O)[C@](O)(CO)C[C@@H]2O)C[C@@H]2[C@]1(CC[C@H]2C(=C)C)C
• Title of publication: Synergistic Antifungal Meroterpenes and Dioxolanone Derivatives from the Endophytic Fungus Guignardia sp.
• Authors of publication: Li, Tian-Xiao; Yang, Ming-Hua; Wang, Xiao-Bing; Wang, Ying; Kong, Ling-Yi
• Journal of publication: Journal of natural products
• Year of publication: 2015
• Journal volume: 78
• Journal issue: 11
• Pages of publication: 2511 - 2520
• a: 7.2341 ± 0.0001 Å
• b: 12.0603 ± 0.0002 Å
• c: 19.2403 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1678.63 ± 0.04 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0392
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No