Information card for entry 7227178

Structure parameters

• Formula: C15 H23 O3.5
• Calculated formula: C15 H23 O3.5
• SMILES: O.[C@@H]12CCC(=C[C@H]1[C@@H](C[C@@H](O)C2=C)C(C)C)C(=O)O
• Title of publication: New cadinane sesquiterpenoids from the basidiomycetous fungus Pholiota sp.
• Authors of publication: Lin, Jie; Wang, Renlei; Xu, Guohua; Ding, Zhengfeng; Zhu, Xueshen; Liu, Xingzhong; Zou, Jian; Chen, Guodong; Li, Li; Liu, Ling
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 16.315 ± 0.003 Å
• b: 17.05 ± 0.003 Å
• c: 5.2386 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1457.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0439
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No