Information card for entry 1513372

Structure parameters

• Formula: C11 H14 O5
• Calculated formula: C11 H14 O5
• SMILES: O[C@H]1C=C[C@H]([C@@]23[C@@H]1O[C@@]([C@@H]3O)(C)OC2=O)C
• Title of publication: Dioxatricyclic and Oxabicyclic Polyketides from Trichocladium opacum.
• Authors of publication: Chen, Shenxi; Ren, Fengxia; Niu, Shubin; Liu, Xingzhong; Che, Yongsheng
• Journal of publication: Journal of natural products
• Year of publication: 2014
• Journal volume: 77
• Journal issue: 1
• Pages of publication: 9 - 14
• a: 9.9909 ± 0.0003 Å
• b: 7.57278 ± 0.00019 Å
• c: 13.7572 ± 0.0004 Å
• α: 90°
• β: 90.46 ± 0.003°
• γ: 90°
• Cell volume: 1040.82 ± 0.05 ų
• Cell temperature: 101.5 K
• Ambient diffraction temperature: 101.5 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: 0.0435
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No