Information card for entry 7156561

Structure parameters

• Formula: C12 H14 O3
• Calculated formula: C12 H14 O3
• Title of publication: Four novel sesquiterpenoids with their anti-Alzheimer's disease activity from Nardostachys chinensis.
• Authors of publication: Wu, Pei-Qian; Yu, Yi-Fan; Zhao, Ye; Yu, Chun-Xue; Zhi, De-Juan; Qi, Feng-Ming; Fei, Dong-Qing; Zhang, Zhan-Xin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 46
• Pages of publication: 9038 - 9045
• a: 8.2734 ± 0.0002 Å
• b: 12.6013 ± 0.0004 Å
• c: 10.9726 ± 0.0004 Å
• α: 90°
• β: 104.864 ± 0.003°
• γ: 90°
• Cell volume: 1105.68 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No