Information card for entry 7226224

Structure parameters

• Formula: C19 H28 O4
• Calculated formula: C19 H28 O4
• SMILES: O1C[C@H](O)[C@]2([C@@H]1c1c(CC2)c2c(cc1O)C(CCC2)(C)C)C.O
• 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: 6.2051 ± 0.0006 Å
• b: 8.201 ± 0.0008 Å
• c: 34.011 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1730.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.083
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No