Information card for entry 1553353

Structure parameters

• Formula: C15 H26 O
• Calculated formula: C15 H26 O
• SMILES: O[C@H]1/C=C\C(C/C=C(C)/CCC[C@H]1C)(C)C
• Title of publication: Bioactive Sesquiterpenoids from the Peeled Stems of Syringa pinnatifolia.
• Authors of publication: Zhang, Ruifei; Feng, Xiao; Su, Guozhu; Mu, Zejing; Zhang, Hexinge; Zhao, Yanan; Jiao, Shungang; Cao, Lan; Chen, Suyile; Tu, Pengfei; Chai, Xingyun
• Journal of publication: Journal of natural products
• Year of publication: 2018
• Journal volume: 81
• Journal issue: 8
• Pages of publication: 1711 - 1720
• a: 6.0061 ± 0.0003 Å
• b: 25.4056 ± 0.0009 Å
• c: 13.9957 ± 0.0007 Å
• α: 90°
• β: 92.894 ± 0.004°
• γ: 90°
• Cell volume: 2132.86 ± 0.17 ų
• Cell temperature: 107.8 ± 0.2 K
• Ambient diffraction temperature: 107.8 ± 0.2 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: 0.0441
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No