Information card for entry 1508556

Structure parameters

• Formula: C15 H28 O3
• Calculated formula: C15 H28 O3
• SMILES: OC[C@]1(C)[C@@H]2CC[C@@](O)([C@@H]([C@]2(CCC1)C)CO)C
• Title of publication: Sesquiterpenoids from the mangrove-derived endophytic fungus Diaporthe sp.
• Authors of publication: Zang, Le Yun; Wei, Wei; Guo, Ye; Wang, Ting; Jiao, Rui Hua; Ng, Seik Weng; Tan, Ren Xiang; Ge, Hui Ming
• Journal of publication: Journal of natural products
• Year of publication: 2012
• Journal volume: 75
• Journal issue: 10
• Pages of publication: 1744 - 1749
• a: 5.9952 ± 0.0002 Å
• b: 17.2742 ± 0.0003 Å
• c: 7.1081 ± 0.0002 Å
• α: 90°
• β: 112.765 ± 0.003°
• γ: 90°
• Cell volume: 678.79 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0629
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No