Information card for entry 7226223

Structure parameters

• Formula: C19 H26 O4
• Calculated formula: C19 H26 O4
• SMILES: O[C@H]1CCc2c(C1(C)C)cc(O)c1c2CC[C@]2([C@@H]1OC[C@H]2O)C
• Title of publication: 20-Nor-isopimarane cycloethers from the deep-sea sediment-derived fungus Aspergillus wentii SD-310
• Authors of publication: Li, Xin; Li, Xiao-Ming; Li, Xiao-Dong; Xu, Gang-Ming; Liu, Yang; Wang, Bin-Gui
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 79
• Pages of publication: 75981
• a: 20.3794 ± 0.0007 Å
• b: 9.1072 ± 0.0003 Å
• c: 9.1422 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1696.79 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No