Information card for entry 1549030

Structure parameters

• Formula: C15 H20 O3
• Calculated formula: C15 H20 O3
• SMILES: O=CC1=C2CCC[C@@H]([C@]2(C[C@@H]1C(=C)C(=O)O)C)C
• Title of publication: Nitric Oxide Inhibitory Sesquiterpenoids and Its Dimers from Artemisia freyniana.
• Authors of publication: Zhang, Chen; Wen, Ran; Ma, Xiao-Li; Zeng, Ke-Wu; Xue, Yang; Zhang, Pu-Ming; Zhao, Ming-Bo; Jiang, Yong; Liu, Guo-Qing; Tu, Peng-Fei
• Journal of publication: Journal of natural products
• Year of publication: 2018
• a: 6.83018 ± 0.00008 Å
• b: 26.1293 ± 0.0003 Å
• c: 7.49108 ± 0.00009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1336.92 ± 0.03 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No