Information card for entry 7227446

Structure parameters

• Chemical name: sd310-42
• Formula: C21 H32 O4
• Calculated formula: C21 H32 O4
• SMILES: O[C@@H]1[C@H]2C(CCC[C@@]32C2=C([C@H]1O[C@H]3OC)[C@@H](O)[C@](CC2)(C=C)C)(C)C
• Title of publication: Wentinoids A‒F, six new isopimarane diterpenoids from Aspergillus wentii SD-310, a deep-sea sediment derived fungus
• Authors of publication: Li, Xin; Li, Xiao-Dong; Li, Xiao-Ming; Xu, Gang-Ming; Liu, Yang; Wang, Bin-Gui
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 4387
• a: 8.858 ± 0.0006 Å
• b: 12.4336 ± 0.0007 Å
• c: 17.542 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1932 ± 0.2 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: 0.0894
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1289
• 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