Information card for entry 1544815

Structure parameters

• Formula: C17 H18 O6
• Calculated formula: C17 H18 O6
• SMILES: O(C)C(=O)[C@H]1[C@]2(Oc3c(C2=O)cc(O)cc3)[C@@H](CC1)C(=C)CO
• Title of publication: Spiro Meroterpenoids from Ganoderma applanatum.
• Authors of publication: Luo, Qi; Wei, Xiao-Yi; Yang, Jing; Luo, Jin-Feng; Liang, Rui; Tu, Zheng-Chao; Cheng, Yong-Xian
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 1
• Pages of publication: 61 - 70
• a: 6.1006 ± 0.0001 Å
• b: 15.0443 ± 0.0002 Å
• c: 16.0425 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1472.37 ± 0.04 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: 0.0274
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No