Information card for entry 1518293

Structure parameters

• Formula: C17 H26 O3
• Calculated formula: C17 H26 O3
• SMILES: O[C@]1([C@H]2[C@H](OC(=O)C)C[C@@H]([C@@]32CC=C([C@H](C1)C3)C)C)C
• Title of publication: Penicibilaenes A and B, Sesquiterpenes with a Tricyclo[6.3.1.0(1,5)]dodecane Skeleton from the Marine Isolate of Penicillium bilaiae MA-267.
• Authors of publication: Meng, Ling-Hong; Li, Xiao-Ming; Liu, Yang; Wang, Bin-Gui
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 6052
• a: 6.9819 ± 0.0007 Å
• b: 7.4115 ± 0.0006 Å
• c: 15.405 ± 0.0011 Å
• α: 90°
• β: 93.279 ± 0.006°
• γ: 90°
• Cell volume: 795.85 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1264
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No