Information card for entry 7219487

Structure parameters

• Formula: C15 H24 O2
• Calculated formula: C15 H24 O2
• SMILES: O[C@@H]1C(=C([C@@]2([C@@H](C1)C(CCC2)(C)C)C)C=O)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: 7.5653 ± 0.0002 Å
• b: 10.7212 ± 0.0004 Å
• c: 16.523 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1340.17 ± 0.08 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0516
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No