Information card for entry 7219486

Structure parameters

• Formula: C15 H22 O3
• Calculated formula: C15 H22 O3
• SMILES: O1C(=O)C(=C2[C@@]1(O)C(C[C@@H]1[C@@H]2CC[C@@H]1C)(C)C)C
• Title of publication: Sesquiterpenoids Isolated from an Endophyte Fungus Diaporthe sp.
• Authors of publication: Ge, Hui Ming; Tan, R.-X.; Chen, Chao Jun; Liu, Xian Xian; Zang, Le Yun; Wang, Gang; Weng, Ng Seik; Zhang, Wen JING
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 6.896 ± 0.001 Å
• b: 7.706 ± 0.001 Å
• c: 13.516 ± 0.001 Å
• α: 90°
• β: 96.435 ± 0.005°
• γ: 90°
• Cell volume: 713.72 ± 0.15 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.1585
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.2198
• Weighted residual factors for all reflections included in the refinement: 0.2846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No