Information card for entry 1562749

Structure parameters

• Formula: C15 H24 O3
• Calculated formula: C15 H24 O3
• SMILES: O[C@]1([C@@H]2C[C@H](C(=C)C(=O)O)CC[C@]2(CCC1)C)C
• Title of publication: Anti-inflammatory Eudesmane Sesquiterpenoids from <i>Artemisia hedinii</i>.
• Authors of publication: Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang
• Journal of publication: Journal of natural products
• Year of publication: 2021
• Journal volume: 84
• Journal issue: 5
• Pages of publication: 1626 - 1637
• a: 12.1025 ± 0.0003 Å
• b: 16.7657 ± 0.0004 Å
• c: 7.1219 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1445.08 ± 0.06 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 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: 0.0318
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No