Information card for entry 1512163

Structure parameters

• Formula: C17 H20 O5
• Calculated formula: C17 H20 O5
• SMILES: O(C)c1c(O)c2c(C(=O)[C@H]3O[C@]3(C)CCC=C(C2)C)c(O)c1
• Title of publication: Highly Oxygenated Meroterpenoids from Fruiting Bodies of the Mushroom Tricholoma terreum.
• Authors of publication: Yin, Xia; Feng, Tao; Li, Zheng-Hui; Dong, Ze-Jun; Li, Yan; Liu, Ji Kai
• Journal of publication: Journal of natural products
• Year of publication: 2013
• Journal volume: 76
• Journal issue: 7
• Pages of publication: 1365 - 1368
• a: 12.9578 ± 0.0003 Å
• b: 13.5937 ± 0.0003 Å
• c: 17.1115 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3014.1 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0915
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.2688
• Weighted residual factors for all reflections included in the refinement: 0.273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.267
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No