Information card for entry 1518292

Structure parameters

• Formula: C15 H24 O2
• Calculated formula: C15 H24 O2
• SMILES: O[C@@]1(C[C@H]2C(=CC[C@@]3([C@@H]1[C@H](O)C[C@@H]3C)C2)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: 9.1715 ± 0.0007 Å
• b: 6.5653 ± 0.0004 Å
• c: 11.0048 ± 0.0009 Å
• α: 90°
• β: 92.975 ± 0.001°
• γ: 90°
• Cell volume: 661.75 ± 0.08 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: 0.0354
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No