Information card for entry 7238971

Structure parameters

• Formula: C13 H18 O6
• Calculated formula: C13 H18 O6
• Title of publication: Oleonin, the first secoiridoid with 1α-configuration from Ligustrum lucidum
• Authors of publication: Huang, Xiao-Jun; Wang, Lei; Shao, Meng; Hu, Shu-Zhi; Jiang, Ren-Wang; Yao, Xin-Sheng; Li, Yao-Lan; Yin, Zhi-Qi; Wang, Ying; Ye, Wen-Cai
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 37
• Pages of publication: 16300
• a: 14.7073 ± 0.001 Å
• b: 12.5151 ± 0.001 Å
• c: 7.3471 ± 0.0006 Å
• α: 90°
• β: 96.386 ± 0.007°
• γ: 90°
• Cell volume: 1343.94 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No