Information card for entry 1513373

Structure parameters

• Formula: C11 H18 O6
• Calculated formula: C11 H18 O6
• SMILES: O.O=C1O[C@H]2[C@@H](O)[C@]1([C@H](O)[C@H](O)C)[C@H](C=C2)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: 6.6087 ± 0.0005 Å
• b: 6.6339 ± 0.0004 Å
• c: 27.605 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1210.24 ± 0.15 ų
• Cell temperature: 103.1 K
• Ambient diffraction temperature: 103.1 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: 0.1718
• Residual factor for significantly intense reflections: 0.1693
• Weighted residual factors for significantly intense reflections: 0.4022
• Weighted residual factors for all reflections included in the refinement: 0.4033
• Goodness-of-fit parameter for all reflections included in the refinement: 0.35
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No