Information card for entry 1553352

Structure parameters

• Formula: C16 H26 O3
• Calculated formula: C16 H26 O3
• SMILES: O=C1/C=C/C(C)(C[C@@H]2O[C@@]2(C)CC[C@H](OC)[C@@H]1C)C.O=C1/C=C/C(C)(C[C@H]2O[C@]2(C)CC[C@@H](OC)[C@H]1C)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: 7.4903 ± 0.0006 Å
• b: 10.5587 ± 0.001 Å
• c: 11.233 ± 0.0009 Å
• α: 63.805 ± 0.009°
• β: 72.976 ± 0.007°
• γ: 85.623 ± 0.007°
• Cell volume: 760.77 ± 0.13 ų
• Cell temperature: 105.9 K
• Ambient diffraction temperature: 105.9 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No