Information card for entry 1553354

Structure parameters

• Formula: C15 H24 O2
• Calculated formula: C15 H24 O2
• SMILES: O=C1/C=C/C(C/C=C(/CC[C@H](O)[C@@H]1C)C)(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: 6.0342 ± 0.0004 Å
• b: 12.8921 ± 0.0008 Å
• c: 17.5406 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1364.54 ± 0.15 ų
• Cell temperature: 107.4 K
• Ambient diffraction temperature: 107.4 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: 0.0381
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No