Information card for entry 7218531

Structure parameters

• Formula: C15 H24 O2
• Calculated formula: C15 H24 O2
• SMILES: O[C@@H]1C([C@@]2(C(=C)CC1)CC=C(CC2)CO)(C)C
• Title of publication: Xylariterpenoids A–D, four new sesquiterpenoids from the Xylariaceae fungus
• Authors of publication: Wu, Zu-Yan; Wu, Yang; Chen, Guo-Dong; Hu, Dan; Li, Xiao-Xia; Sun, Xiang; Guo, Liang-Dong; Li, Yan; Yao, Xin-Sheng; Gao, Hao
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 6.5259 ± 0.0003 Å
• b: 13.1402 ± 0.0005 Å
• c: 15.6863 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1345.13 ± 0.1 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 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: 0.0426
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No